1-cyclopropyl-4-(4-methylphenyl)-1,4-diazepane;N,N-diethyl-1-(5-methylpyrazin-2-yl)pyrrolidin-3-amine;N,N-dimethyl-1-(5-methylpyrazin-2-yl)pyrrolidin-3-amine;(3R,5S)-3,5-dimethyl-1-(5-methylthiophen-2-yl)piperidine;2-(3-ethylpyrrolidin-1-yl)-5-methylpyrazine;methane;2-methyl-5-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrazine;1-methyl-4-(4-methylphenyl)-1,4-diazepane;6-(4-methylphenyl)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine;1-(4-methylphenyl)-4-propan-2-yl-1,4-diazepane;1-(5-methylthiophen-2-yl)-4-propan-2-yl-1,4-diazepane

C130H207N25S2 — CID 157180498

About 1-cyclopropyl-4-(4-methylphenyl)-1,4-diazepane;N,N-diethyl-1-(5-methylpyrazin-2-yl)pyrrolidin-3-amine;N,N-dimethyl-1-(5-methylpyrazin-2-yl)pyrrolidin-3-amine;(3R,5S)-3,5-dimethyl-1-(5-methylthiophen-2-yl)piperidine;2-(3-ethylpyrrolidin-1-yl)-5-methylpyrazine;methane;2-methyl-5-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrazine;1-methyl-4-(4-methylphenyl)-1,4-diazepane;6-(4-methylphenyl)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine;1-(4-methylphenyl)-4-propan-2-yl-1,4-diazepane;1-(5-methylthiophen-2-yl)-4-propan-2-yl-1,4-diazepane

1-cyclopropyl-4-(4-methylphenyl)-1,4-diazepane;N,N-diethyl-1-(5-methylpyrazin-2-yl)pyrrolidin-3-amine;N,N-dimethyl-1-(5-methylpyrazin-2-yl)pyrrolidin-3-amine;(3R,5S)-3,5-dimethyl-1-(5-methylthiophen-2-yl)piperidine;2-(3-ethylpyrrolidin-1-yl)-5-methylpyrazine;methane;2-methyl-5-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrazine;1-methyl-4-(4-methylphenyl)-1,4-diazepane;6-(4-methylphenyl)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine;1-(4-methylphenyl)-4-propan-2-yl-1,4-diazepane;1-(5-methylthiophen-2-yl)-4-propan-2-yl-1,4-diazepane (PubChem CID 157180498) has the molecular formula C130H207N25S2 and a molecular weight of 2184.39 g/mol. Its IUPAC name is 1-cyclopropyl-4-(4-methylphenyl)-1,4-diazepane;N,N-diethyl-1-(5-methylpyrazin-2-yl)pyrrolidin-3-amine;N,N-dimethyl-1-(5-methylpyrazin-2-yl)pyrrolidin-3-amine;(3R,5S)-3,5-dimethyl-1-(5-methylthiophen-2-yl)piperidine;2-(3-ethylpyrrolidin-1-yl)-5-methylpyrazine;methane;2-methyl-5-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrazine;1-methyl-4-(4-methylphenyl)-1,4-diazepane;6-(4-methylphenyl)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine;1-(4-methylphenyl)-4-propan-2-yl-1,4-diazepane;1-(5-methylthiophen-2-yl)-4-propan-2-yl-1,4-diazepane.

Molecular Properties

• Compound Name: 1-cyclopropyl-4-(4-methylphenyl)-1,4-diazepane;N,N-diethyl-1-(5-methylpyrazin-2-yl)pyrrolidin-3-amine;N,N-dimethyl-1-(5-methylpyrazin-2-yl)pyrrolidin-3-amine;(3R,5S)-3,5-dimethyl-1-(5-methylthiophen-2-yl)piperidine;2-(3-ethylpyrrolidin-1-yl)-5-methylpyrazine;methane;2-methyl-5-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrazine;1-methyl-4-(4-methylphenyl)-1,4-diazepane;6-(4-methylphenyl)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine;1-(4-methylphenyl)-4-propan-2-yl-1,4-diazepane;1-(5-methylthiophen-2-yl)-4-propan-2-yl-1,4-diazepane
• PubChem CID: 157180498
• Molecular Formula: C130H207N25S2
• Molecular Weight: 2184.39 g/mol
• Exact Mass: 2182.64
• IUPAC Name: 1-cyclopropyl-4-(4-methylphenyl)-1,4-diazepane;N,N-diethyl-1-(5-methylpyrazin-2-yl)pyrrolidin-3-amine;N,N-dimethyl-1-(5-methylpyrazin-2-yl)pyrrolidin-3-amine;(3R,5S)-3,5-dimethyl-1-(5-methylthiophen-2-yl)piperidine;2-(3-ethylpyrrolidin-1-yl)-5-methylpyrazine;methane;2-methyl-5-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrazine;1-methyl-4-(4-methylphenyl)-1,4-diazepane;6-(4-methylphenyl)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine;1-(4-methylphenyl)-4-propan-2-yl-1,4-diazepane;1-(5-methylthiophen-2-yl)-4-propan-2-yl-1,4-diazepane
• SMILES: C.C.CCC1CCN(c2cnc(C)cn2)C1.CCN(CC)C1CCN(c2cnc(C)cn2)C1.Cc1ccc(N2CC3CCCNC3C2)cc1.Cc1ccc(N2CCCN(C(C)C)CC2)cc1.Cc1ccc(N2CCCN(C(C)C)CC2)s1.Cc1ccc(N2CCCN(C)CC2)cc1.Cc1ccc(N2CCCN(C3CC3)CC2)cc1.Cc1ccc(N2C[C@H](C)C[C@H](C)C2)s1.Cc1cnc(C2=CCN(C)CC2)cn1.Cc1cnc(N2CCC(N(C)C)C2)cn1
• InChI: InChI=1S/C15H22N2.C15H24N2.C14H20N2.C13H22N4.C13H22N2S.C13H20N2.C12H19NS.C11H18N4.C11H15N3.C11H17N3.2CH4/c1-13-3-5-14(6-4-13)16-9-2-10-17(12-11-16)15-7-8-15;1-13(2)16-9-4-10-17(12-11-16)15-7-5-14(3)6-8-15;1-11-4-6-13(7-5-11)16-9-12-3-2-8-15-14(12)10-16;1-4-16(5-2)12-6-7-17(10-12)13-9-14-11(3)8-15-13;1-11(2)14-7-4-8-15(10-9-14)13-6-5-12(3)16-13;1-12-4-6-13(7-5-12)15-9-3-8-14(2)10-11-15;1-9-6-10(2)8-13(7-9)12-5-4-11(3)14-12;1-9-6-13-11(7-12-9)15-5-4-10(8-15)14(2)3;1-9-7-13-11(8-12-9)10-3-5-14(2)6-4-10;1-3-10-4-5-14(8-10)11-7-12-9(2)6-13-11;;/h3-6,15H,2,7-12H2,1H3;5-8,13H,4,9-12H2,1-3H3;4-7,12,14-15H,2-3,8-10H2,1H3;8-9,12H,4-7,10H2,1-3H3;5-6,11H,4,7-10H2,1-3H3;4-7H,3,8-11H2,1-2H3;4-5,9-10H,6-8H2,1-3H3;6-7,10H,4-5,8H2,1-3H3;3,7-8H,4-6H2,1-2H3;6-7,10H,3-5,8H2,1-2H3;2*1H4/t;;;;;;9-,10+
• InChIKey: AONBJGXFGKQSPC-IOUYISDJSA-N
• XLogP: 23.85
• TPSA: 166.99 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 27
• Rotatable Bonds: 18
• Heavy Atoms: 157
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2184.39
LogP ≤ 5	23.85
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	27

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-4-(4-methylphenyl)-1,4-diazepane;N,N-diethyl-1-(5-methylpyrazin-2-yl)pyrrolidin-3-amine;N,N-dimethyl-1-(5-methylpyrazin-2-yl)pyrrolidin-3-amine;(3R,5S)-3,5-dimethyl-1-(5-methylthiophen-2-yl)piperidine;2-(3-ethylpyrrolidin-1-yl)-5-methylpyrazine;methane;2-methyl-5-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrazine;1-methyl-4-(4-methylphenyl)-1,4-diazepane;6-(4-methylphenyl)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine;1-(4-methylphenyl)-4-propan-2-yl-1,4-diazepane;1-(5-methylthiophen-2-yl)-4-propan-2-yl-1,4-diazepane?

The IUPAC name of 1-cyclopropyl-4-(4-methylphenyl)-1,4-diazepane;N,N-diethyl-1-(5-methylpyrazin-2-yl)pyrrolidin-3-amine;N,N-dimethyl-1-(5-methylpyrazin-2-yl)pyrrolidin-3-amine;(3R,5S)-3,5-dimethyl-1-(5-methylthiophen-2-yl)piperidine;2-(3-ethylpyrrolidin-1-yl)-5-methylpyrazine;methane;2-methyl-5-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrazine;1-methyl-4-(4-methylphenyl)-1,4-diazepane;6-(4-methylphenyl)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine;1-(4-methylphenyl)-4-propan-2-yl-1,4-diazepane;1-(5-methylthiophen-2-yl)-4-propan-2-yl-1,4-diazepane (CID 157180498) is 1-cyclopropyl-4-(4-methylphenyl)-1,4-diazepane;N,N-diethyl-1-(5-methylpyrazin-2-yl)pyrrolidin-3-amine;N,N-dimethyl-1-(5-methylpyrazin-2-yl)pyrrolidin-3-amine;(3R,5S)-3,5-dimethyl-1-(5-methylthiophen-2-yl)piperidine;2-(3-ethylpyrrolidin-1-yl)-5-methylpyrazine;methane;2-methyl-5-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrazine;1-methyl-4-(4-methylphenyl)-1,4-diazepane;6-(4-methylphenyl)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine;1-(4-methylphenyl)-4-propan-2-yl-1,4-diazepane;1-(5-methylthiophen-2-yl)-4-propan-2-yl-1,4-diazepane.

What is the SMILES notation for 1-cyclopropyl-4-(4-methylphenyl)-1,4-diazepane;N,N-diethyl-1-(5-methylpyrazin-2-yl)pyrrolidin-3-amine;N,N-dimethyl-1-(5-methylpyrazin-2-yl)pyrrolidin-3-amine;(3R,5S)-3,5-dimethyl-1-(5-methylthiophen-2-yl)piperidine;2-(3-ethylpyrrolidin-1-yl)-5-methylpyrazine;methane;2-methyl-5-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrazine;1-methyl-4-(4-methylphenyl)-1,4-diazepane;6-(4-methylphenyl)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine;1-(4-methylphenyl)-4-propan-2-yl-1,4-diazepane;1-(5-methylthiophen-2-yl)-4-propan-2-yl-1,4-diazepane?

The canonical SMILES for 1-cyclopropyl-4-(4-methylphenyl)-1,4-diazepane;N,N-diethyl-1-(5-methylpyrazin-2-yl)pyrrolidin-3-amine;N,N-dimethyl-1-(5-methylpyrazin-2-yl)pyrrolidin-3-amine;(3R,5S)-3,5-dimethyl-1-(5-methylthiophen-2-yl)piperidine;2-(3-ethylpyrrolidin-1-yl)-5-methylpyrazine;methane;2-methyl-5-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrazine;1-methyl-4-(4-methylphenyl)-1,4-diazepane;6-(4-methylphenyl)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine;1-(4-methylphenyl)-4-propan-2-yl-1,4-diazepane;1-(5-methylthiophen-2-yl)-4-propan-2-yl-1,4-diazepane is C.C.CCC1CCN(c2cnc(C)cn2)C1.CCN(CC)C1CCN(c2cnc(C)cn2)C1.Cc1ccc(N2CC3CCCNC3C2)cc1.Cc1ccc(N2CCCN(C(C)C)CC2)cc1.Cc1ccc(N2CCCN(C(C)C)CC2)s1.Cc1ccc(N2CCCN(C)CC2)cc1.Cc1ccc(N2CCCN(C3CC3)CC2)cc1.Cc1ccc(N2C[C@H](C)C[C@H](C)C2)s1.Cc1cnc(C2=CCN(C)CC2)cn1.Cc1cnc(N2CCC(N(C)C)C2)cn1.

What is the InChIKey of 1-cyclopropyl-4-(4-methylphenyl)-1,4-diazepane;N,N-diethyl-1-(5-methylpyrazin-2-yl)pyrrolidin-3-amine;N,N-dimethyl-1-(5-methylpyrazin-2-yl)pyrrolidin-3-amine;(3R,5S)-3,5-dimethyl-1-(5-methylthiophen-2-yl)piperidine;2-(3-ethylpyrrolidin-1-yl)-5-methylpyrazine;methane;2-methyl-5-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrazine;1-methyl-4-(4-methylphenyl)-1,4-diazepane;6-(4-methylphenyl)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine;1-(4-methylphenyl)-4-propan-2-yl-1,4-diazepane;1-(5-methylthiophen-2-yl)-4-propan-2-yl-1,4-diazepane?

The InChIKey is AONBJGXFGKQSPC-IOUYISDJSA-N. The full InChI is InChI=1S/C15H22N2.C15H24N2.C14H20N2.C13H22N4.C13H22N2S.C13H20N2.C12H19NS.C11H18N4.C11H15N3.C11H17N3.2CH4/c1-13-3-5-14(6-4-13)16-9-2-10-17(12-11-16)15-7-8-15;1-13(2)16-9-4-10-17(12-11-16)15-7-5-14(3)6-8-15;1-11-4-6-13(7-5-11)16-9-12-3-2-8-15-14(12)10-16;1-4-16(5-2)12-6-7-17(10-12)13-9-14-11(3)8-15-13;1-11(2)14-7-4-8-15(10-9-14)13-6-5-12(3)16-13;1-12-4-6-13(7-5-12)15-9-3-8-14(2)10-11-15;1-9-6-10(2)8-13(7-9)12-5-4-11(3)14-12;1-9-6-13-11(7-12-9)15-5-4-10(8-15)14(2)3;1-9-7-13-11(8-12-9)10-3-5-14(2)6-4-10;1-3-10-4-5-14(8-10)11-7-12-9(2)6-13-11;;/h3-6,15H,2,7-12H2,1H3;5-8,13H,4,9-12H2,1-3H3;4-7,12,14-15H,2-3,8-10H2,1H3;8-9,12H,4-7,10H2,1-3H3;5-6,11H,4,7-10H2,1-3H3;4-7H,3,8-11H2,1-2H3;4-5,9-10H,6-8H2,1-3H3;6-7,10H,4-5,8H2,1-3H3;3,7-8H,4-6H2,1-2H3;6-7,10H,3-5,8H2,1-2H3;2*1H4/t;;;;;;9-,10+;;;;;.

What are the key properties of 1-cyclopropyl-4-(4-methylphenyl)-1,4-diazepane;N,N-diethyl-1-(5-methylpyrazin-2-yl)pyrrolidin-3-amine;N,N-dimethyl-1-(5-methylpyrazin-2-yl)pyrrolidin-3-amine;(3R,5S)-3,5-dimethyl-1-(5-methylthiophen-2-yl)piperidine;2-(3-ethylpyrrolidin-1-yl)-5-methylpyrazine;methane;2-methyl-5-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrazine;1-methyl-4-(4-methylphenyl)-1,4-diazepane;6-(4-methylphenyl)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine;1-(4-methylphenyl)-4-propan-2-yl-1,4-diazepane;1-(5-methylthiophen-2-yl)-4-propan-2-yl-1,4-diazepane?

1-cyclopropyl-4-(4-methylphenyl)-1,4-diazepane;N,N-diethyl-1-(5-methylpyrazin-2-yl)pyrrolidin-3-amine;N,N-dimethyl-1-(5-methylpyrazin-2-yl)pyrrolidin-3-amine;(3R,5S)-3,5-dimethyl-1-(5-methylthiophen-2-yl)piperidine;2-(3-ethylpyrrolidin-1-yl)-5-methylpyrazine;methane;2-methyl-5-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrazine;1-methyl-4-(4-methylphenyl)-1,4-diazepane;6-(4-methylphenyl)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine;1-(4-methylphenyl)-4-propan-2-yl-1,4-diazepane;1-(5-methylthiophen-2-yl)-4-propan-2-yl-1,4-diazepane has a molecular weight of 2184.39 g/mol, XLogP of 23.85, 18 rotatable bonds, 1 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for 1-cyclopropyl-4-(4-methylphenyl)-1,4-diazepane;N,N-diethyl-1-(5-methylpyrazin-2-yl)pyrrolidin-3-amine;N,N-dimethyl-1-(5-methylpyrazin-2-yl)pyrrolidin-3-amine;(3R,5S)-3,5-dimethyl-1-(5-methylthiophen-2-yl)piperidine;2-(3-ethylpyrrolidin-1-yl)-5-methylpyrazine;methane;2-methyl-5-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrazine;1-methyl-4-(4-methylphenyl)-1,4-diazepane;6-(4-methylphenyl)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine;1-(4-methylphenyl)-4-propan-2-yl-1,4-diazepane;1-(5-methylthiophen-2-yl)-4-propan-2-yl-1,4-diazepane is sourced from PubChem (CID 157180498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).