1-(azetidin-1-yl)ethanimine;1-(aziridin-1-yl)ethanimine;1,4-dimethyl-1,4-diazepane;1,2-dimethyl-4,5-dihydroimidazole;1,4-dimethylpiperazine;1,4-dimethylpiperidine;1-ethylpyrrolidine;1-(4-methoxypiperidin-1-yl)ethanimine;1-(3-methoxypyrrolidin-1-yl)ethanimine;4-methylpiperidine-1-carboximidamide;1-(4-methylpiperidin-1-yl)ethanimine;1-piperidin-1-ylethanimine;1-pyrrolidin-1-ylethanimine

C83H173N25O2 — CID 161436117

About 1-(azetidin-1-yl)ethanimine;1-(aziridin-1-yl)ethanimine;1,4-dimethyl-1,4-diazepane;1,2-dimethyl-4,5-dihydroimidazole;1,4-dimethylpiperazine;1,4-dimethylpiperidine;1-ethylpyrrolidine;1-(4-methoxypiperidin-1-yl)ethanimine;1-(3-methoxypyrrolidin-1-yl)ethanimine;4-methylpiperidine-1-carboximidamide;1-(4-methylpiperidin-1-yl)ethanimine;1-piperidin-1-ylethanimine;1-pyrrolidin-1-ylethanimine

1-(azetidin-1-yl)ethanimine;1-(aziridin-1-yl)ethanimine;1,4-dimethyl-1,4-diazepane;1,2-dimethyl-4,5-dihydroimidazole;1,4-dimethylpiperazine;1,4-dimethylpiperidine;1-ethylpyrrolidine;1-(4-methoxypiperidin-1-yl)ethanimine;1-(3-methoxypyrrolidin-1-yl)ethanimine;4-methylpiperidine-1-carboximidamide;1-(4-methylpiperidin-1-yl)ethanimine;1-piperidin-1-ylethanimine;1-pyrrolidin-1-ylethanimine (PubChem CID 161436117) has the molecular formula C83H173N25O2 and a molecular weight of 1553.47 g/mol. Its IUPAC name is 1-(azetidin-1-yl)ethanimine;1-(aziridin-1-yl)ethanimine;1,4-dimethyl-1,4-diazepane;1,2-dimethyl-4,5-dihydroimidazole;1,4-dimethylpiperazine;1,4-dimethylpiperidine;1-ethylpyrrolidine;1-(4-methoxypiperidin-1-yl)ethanimine;1-(3-methoxypyrrolidin-1-yl)ethanimine;4-methylpiperidine-1-carboximidamide;1-(4-methylpiperidin-1-yl)ethanimine;1-piperidin-1-ylethanimine;1-pyrrolidin-1-ylethanimine.

Molecular Properties

• Compound Name: 1-(azetidin-1-yl)ethanimine;1-(aziridin-1-yl)ethanimine;1,4-dimethyl-1,4-diazepane;1,2-dimethyl-4,5-dihydroimidazole;1,4-dimethylpiperazine;1,4-dimethylpiperidine;1-ethylpyrrolidine;1-(4-methoxypiperidin-1-yl)ethanimine;1-(3-methoxypyrrolidin-1-yl)ethanimine;4-methylpiperidine-1-carboximidamide;1-(4-methylpiperidin-1-yl)ethanimine;1-piperidin-1-ylethanimine;1-pyrrolidin-1-ylethanimine
• PubChem CID: 161436117
• Molecular Formula: C83H173N25O2
• Molecular Weight: 1553.47 g/mol
• Exact Mass: 1552.42
• IUPAC Name: 1-(azetidin-1-yl)ethanimine;1-(aziridin-1-yl)ethanimine;1,4-dimethyl-1,4-diazepane;1,2-dimethyl-4,5-dihydroimidazole;1,4-dimethylpiperazine;1,4-dimethylpiperidine;1-ethylpyrrolidine;1-(4-methoxypiperidin-1-yl)ethanimine;1-(3-methoxypyrrolidin-1-yl)ethanimine;4-methylpiperidine-1-carboximidamide;1-(4-methylpiperidin-1-yl)ethanimine;1-piperidin-1-ylethanimine;1-pyrrolidin-1-ylethanimine
• SMILES: CC1=NCCN1C.CC1CCN(C)CC1.CCN1CCCC1.CN1CCCN(C)CC1.CN1CCN(C)CC1.[H]/N=C(\C)N1CC1.[H]/N=C(\C)N1CCC(C)CC1.[H]/N=C(\C)N1CCC(OC)C1.[H]/N=C(\C)N1CCC(OC)CC1.[H]/N=C(\C)N1CCC1.[H]/N=C(\C)N1CCCC1.[H]/N=C(\C)N1CCCCC1.[H]/N=C(\N)N1CCC(C)CC1
• InChI: InChI=1S/C8H16N2O.C8H16N2.C7H15N3.C7H14N2O.C7H16N2.C7H14N2.C7H15N.C6H14N2.C6H12N2.C6H13N.2C5H10N2.C4H8N2/c1-7(9)10-5-3-8(11-2)4-6-10;1-7-3-5-10(6-4-7)8(2)9;1-6-2-4-10(5-3-6)7(8)9;1-6(8)9-4-3-7(5-9)10-2;1-8-4-3-5-9(2)7-6-8;1-7(8)9-5-3-2-4-6-9;2*1-7-3-5-8(2)6-4-7;1-6(7)8-4-2-3-5-8;1-2-7-5-3-4-6-7;1-5-6-3-4-7(5)2;1-5(6)7-3-2-4-7;1-4(5)6-2-3-6/h8-9H,3-6H2,1-2H3;7,9H,3-6H2,1-2H3;6H,2-5H2,1H3,(H3,8,9);7-8H,3-5H2,1-2H3;3-7H2,1-2H3;8H,2-6H2,1H3;7H,3-6H2,1-2H3;3-6H2,1-2H3;7H,2-5H2,1H3;2-6H2,1H3;3-4H2,1-2H3;6H,2-4H2,1H3;5H,2-3H2,1H3/b9-7+;9-8+;;8-6+;;8-7+;;;7-6+;;;6-5+;5-4+
• InChIKey: VYRACALZGULQLW-PXJVJOFCSA-N
• XLogP: 10.58
• TPSA: 296.01 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 18
• Rotatable Bonds: 3
• Heavy Atoms: 110
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1553.47
LogP ≤ 5	10.58
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-(azetidin-1-yl)ethanimine;1-(aziridin-1-yl)ethanimine;1,4-dimethyl-1,4-diazepane;1,2-dimethyl-4,5-dihydroimidazole;1,4-dimethylpiperazine;1,4-dimethylpiperidine;1-ethylpyrrolidine;1-(4-methoxypiperidin-1-yl)ethanimine;1-(3-methoxypyrrolidin-1-yl)ethanimine;4-methylpiperidine-1-carboximidamide;1-(4-methylpiperidin-1-yl)ethanimine;1-piperidin-1-ylethanimine;1-pyrrolidin-1-ylethanimine?

The IUPAC name of 1-(azetidin-1-yl)ethanimine;1-(aziridin-1-yl)ethanimine;1,4-dimethyl-1,4-diazepane;1,2-dimethyl-4,5-dihydroimidazole;1,4-dimethylpiperazine;1,4-dimethylpiperidine;1-ethylpyrrolidine;1-(4-methoxypiperidin-1-yl)ethanimine;1-(3-methoxypyrrolidin-1-yl)ethanimine;4-methylpiperidine-1-carboximidamide;1-(4-methylpiperidin-1-yl)ethanimine;1-piperidin-1-ylethanimine;1-pyrrolidin-1-ylethanimine (CID 161436117) is 1-(azetidin-1-yl)ethanimine;1-(aziridin-1-yl)ethanimine;1,4-dimethyl-1,4-diazepane;1,2-dimethyl-4,5-dihydroimidazole;1,4-dimethylpiperazine;1,4-dimethylpiperidine;1-ethylpyrrolidine;1-(4-methoxypiperidin-1-yl)ethanimine;1-(3-methoxypyrrolidin-1-yl)ethanimine;4-methylpiperidine-1-carboximidamide;1-(4-methylpiperidin-1-yl)ethanimine;1-piperidin-1-ylethanimine;1-pyrrolidin-1-ylethanimine.

What is the SMILES notation for 1-(azetidin-1-yl)ethanimine;1-(aziridin-1-yl)ethanimine;1,4-dimethyl-1,4-diazepane;1,2-dimethyl-4,5-dihydroimidazole;1,4-dimethylpiperazine;1,4-dimethylpiperidine;1-ethylpyrrolidine;1-(4-methoxypiperidin-1-yl)ethanimine;1-(3-methoxypyrrolidin-1-yl)ethanimine;4-methylpiperidine-1-carboximidamide;1-(4-methylpiperidin-1-yl)ethanimine;1-piperidin-1-ylethanimine;1-pyrrolidin-1-ylethanimine?

The canonical SMILES for 1-(azetidin-1-yl)ethanimine;1-(aziridin-1-yl)ethanimine;1,4-dimethyl-1,4-diazepane;1,2-dimethyl-4,5-dihydroimidazole;1,4-dimethylpiperazine;1,4-dimethylpiperidine;1-ethylpyrrolidine;1-(4-methoxypiperidin-1-yl)ethanimine;1-(3-methoxypyrrolidin-1-yl)ethanimine;4-methylpiperidine-1-carboximidamide;1-(4-methylpiperidin-1-yl)ethanimine;1-piperidin-1-ylethanimine;1-pyrrolidin-1-ylethanimine is CC1=NCCN1C.CC1CCN(C)CC1.CCN1CCCC1.CN1CCCN(C)CC1.CN1CCN(C)CC1.[H]/N=C(\C)N1CC1.[H]/N=C(\C)N1CCC(C)CC1.[H]/N=C(\C)N1CCC(OC)C1.[H]/N=C(\C)N1CCC(OC)CC1.[H]/N=C(\C)N1CCC1.[H]/N=C(\C)N1CCCC1.[H]/N=C(\C)N1CCCCC1.[H]/N=C(\N)N1CCC(C)CC1.

What is the InChIKey of 1-(azetidin-1-yl)ethanimine;1-(aziridin-1-yl)ethanimine;1,4-dimethyl-1,4-diazepane;1,2-dimethyl-4,5-dihydroimidazole;1,4-dimethylpiperazine;1,4-dimethylpiperidine;1-ethylpyrrolidine;1-(4-methoxypiperidin-1-yl)ethanimine;1-(3-methoxypyrrolidin-1-yl)ethanimine;4-methylpiperidine-1-carboximidamide;1-(4-methylpiperidin-1-yl)ethanimine;1-piperidin-1-ylethanimine;1-pyrrolidin-1-ylethanimine?

The InChIKey is VYRACALZGULQLW-PXJVJOFCSA-N. The full InChI is InChI=1S/C8H16N2O.C8H16N2.C7H15N3.C7H14N2O.C7H16N2.C7H14N2.C7H15N.C6H14N2.C6H12N2.C6H13N.2C5H10N2.C4H8N2/c1-7(9)10-5-3-8(11-2)4-6-10;1-7-3-5-10(6-4-7)8(2)9;1-6-2-4-10(5-3-6)7(8)9;1-6(8)9-4-3-7(5-9)10-2;1-8-4-3-5-9(2)7-6-8;1-7(8)9-5-3-2-4-6-9;2*1-7-3-5-8(2)6-4-7;1-6(7)8-4-2-3-5-8;1-2-7-5-3-4-6-7;1-5-6-3-4-7(5)2;1-5(6)7-3-2-4-7;1-4(5)6-2-3-6/h8-9H,3-6H2,1-2H3;7,9H,3-6H2,1-2H3;6H,2-5H2,1H3,(H3,8,9);7-8H,3-5H2,1-2H3;3-7H2,1-2H3;8H,2-6H2,1H3;7H,3-6H2,1-2H3;3-6H2,1-2H3;7H,2-5H2,1H3;2-6H2,1H3;3-4H2,1-2H3;6H,2-4H2,1H3;5H,2-3H2,1H3/b9-7+;9-8+;;8-6+;;8-7+;;;7-6+;;;6-5+;5-4+.

What are the key properties of 1-(azetidin-1-yl)ethanimine;1-(aziridin-1-yl)ethanimine;1,4-dimethyl-1,4-diazepane;1,2-dimethyl-4,5-dihydroimidazole;1,4-dimethylpiperazine;1,4-dimethylpiperidine;1-ethylpyrrolidine;1-(4-methoxypiperidin-1-yl)ethanimine;1-(3-methoxypyrrolidin-1-yl)ethanimine;4-methylpiperidine-1-carboximidamide;1-(4-methylpiperidin-1-yl)ethanimine;1-piperidin-1-ylethanimine;1-pyrrolidin-1-ylethanimine?

1-(azetidin-1-yl)ethanimine;1-(aziridin-1-yl)ethanimine;1,4-dimethyl-1,4-diazepane;1,2-dimethyl-4,5-dihydroimidazole;1,4-dimethylpiperazine;1,4-dimethylpiperidine;1-ethylpyrrolidine;1-(4-methoxypiperidin-1-yl)ethanimine;1-(3-methoxypyrrolidin-1-yl)ethanimine;4-methylpiperidine-1-carboximidamide;1-(4-methylpiperidin-1-yl)ethanimine;1-piperidin-1-ylethanimine;1-pyrrolidin-1-ylethanimine has a molecular weight of 1553.47 g/mol, XLogP of 10.58, 3 rotatable bonds, 9 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(azetidin-1-yl)ethanimine;1-(aziridin-1-yl)ethanimine;1,4-dimethyl-1,4-diazepane;1,2-dimethyl-4,5-dihydroimidazole;1,4-dimethylpiperazine;1,4-dimethylpiperidine;1-ethylpyrrolidine;1-(4-methoxypiperidin-1-yl)ethanimine;1-(3-methoxypyrrolidin-1-yl)ethanimine;4-methylpiperidine-1-carboximidamide;1-(4-methylpiperidin-1-yl)ethanimine;1-piperidin-1-ylethanimine;1-pyrrolidin-1-ylethanimine is sourced from PubChem (CID 161436117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).