N-tert-butyl-3-[(5-tert-butyl-2-pyridinyl)oxy]cyclobutan-1-amine;N-tert-butyl-5-[4-[3-(2,2-dimethylpropoxy)propoxy]phenyl]pyrazin-2-amine;N-tert-butyl-6-[4-[3-(2,2-dimethylpropoxy)propoxy]phenyl]pyridin-3-amine;(3S)-N-tert-butyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidin-3-amine;ethane

C80H137N9O6 — CID 158248168

IUPACN-tert-butyl-3-[(5-tert-butyl-2-pyridinyl)oxy]cyclobutan-1-amine;N-tert-butyl-5-[4-[3-(2,2-dimethylpropoxy)propoxy]phenyl]pyrazin-2-amine;N-tert-butyl-6-[4-[3-(2,2-dimethylpropoxy)propoxy]phenyl]pyridin-3-amine;(3S)-N-tert-butyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidin-3-amine;ethane
SMILESCC.CC.CC(C)(C)COCCCOc1ccc(-c2ccc(NC(C)(C)C)cn2)cc1.CC(C)(C)COCCCOc1ccc(-c2cnc(NC(C)(C)C)cn2)cc1.CC(C)(C)NC1CC(Oc2ccc(C(C)(C)C)cn2)C1.CC(C)(C)N[C@H]1CCN(CCOC(C)(C)C)C1
InChIInChI=1S/C23H34N2O2.C22H33N3O2.C17H28N2O.C14H30N2O.2C2H6/c1-22(2,3)17-26-14-7-15-27-20-11-8-18(9-12-20)21-13-10-19(16-24-21)25-23(4,5)6;1-21(2,3)16-26-12-7-13-27-18-10-8-17(9-11-18)19-14-24-20(15-23-19)25-22(4,5)6;1-16(2,3)12-7-8-15(18-11-12)20-14-9-13(10-14)19-17(4,5)6;1-13(2,3)15-12-7-8-16(11-12)9-10-17-14(4,5)6;2*1-2/h8-13,16,25H,7,14-15,17H2,1-6H3;8-11,14-15H,7,12-13,16H2,1-6H3,(H,24,25);7-8,11,13-14,19H,9-10H2,1-6H3;12,15H,7-11H2,1-6H3;2*1-2H3/t;;;12-;;/m...0../s1
InChIKeyGGJQBTRSIYCPCY-GETZRCFYSA-N
MW1321.03 g/mol
LogP18.97
Rot. Bonds23

About N-tert-butyl-3-[(5-tert-butyl-2-pyridinyl)oxy]cyclobutan-1-amine;N-tert-butyl-5-[4-[3-(2,2-dimethylpropoxy)propoxy]phenyl]pyrazin-2-amine;N-tert-butyl-6-[4-[3-(2,2-dimethylpropoxy)propoxy]phenyl]pyridin-3-amine;(3S)-N-tert-butyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidin-3-amine;ethane

N-tert-butyl-3-[(5-tert-butyl-2-pyridinyl)oxy]cyclobutan-1-amine;N-tert-butyl-5-[4-[3-(2,2-dimethylpropoxy)propoxy]phenyl]pyrazin-2-amine;N-tert-butyl-6-[4-[3-(2,2-dimethylpropoxy)propoxy]phenyl]pyridin-3-amine;(3S)-N-tert-butyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidin-3-amine;ethane (PubChem CID 158248168) has the molecular formula C80H137N9O6 and a molecular weight of 1321.03 g/mol. Its IUPAC name is N-tert-butyl-3-[(5-tert-butyl-2-pyridinyl)oxy]cyclobutan-1-amine;N-tert-butyl-5-[4-[3-(2,2-dimethylpropoxy)propoxy]phenyl]pyrazin-2-amine;N-tert-butyl-6-[4-[3-(2,2-dimethylpropoxy)propoxy]phenyl]pyridin-3-amine;(3S)-N-tert-butyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidin-3-amine;ethane.

Molecular Properties

Compound NameN-tert-butyl-3-[(5-tert-butyl-2-pyridinyl)oxy]cyclobutan-1-amine;N-tert-butyl-5-[4-[3-(2,2-dimethylpropoxy)propoxy]phenyl]pyrazin-2-amine;N-tert-butyl-6-[4-[3-(2,2-dimethylpropoxy)propoxy]phenyl]pyridin-3-amine;(3S)-N-tert-butyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidin-3-amine;ethane
PubChem CID158248168
Molecular FormulaC80H137N9O6
Molecular Weight1321.03 g/mol
Exact Mass1320.07
IUPAC NameN-tert-butyl-3-[(5-tert-butyl-2-pyridinyl)oxy]cyclobutan-1-amine;N-tert-butyl-5-[4-[3-(2,2-dimethylpropoxy)propoxy]phenyl]pyrazin-2-amine;N-tert-butyl-6-[4-[3-(2,2-dimethylpropoxy)propoxy]phenyl]pyridin-3-amine;(3S)-N-tert-butyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidin-3-amine;ethane
SMILESCC.CC.CC(C)(C)COCCCOc1ccc(-c2ccc(NC(C)(C)C)cn2)cc1.CC(C)(C)COCCCOc1ccc(-c2cnc(NC(C)(C)C)cn2)cc1.CC(C)(C)NC1CC(Oc2ccc(C(C)(C)C)cn2)C1.CC(C)(C)N[C@H]1CCN(CCOC(C)(C)C)C1
InChIInChI=1S/C23H34N2O2.C22H33N3O2.C17H28N2O.C14H30N2O.2C2H6/c1-22(2,3)17-26-14-7-15-27-20-11-8-18(9-12-20)21-13-10-19(16-24-21)25-23(4,5)6;1-21(2,3)16-26-12-7-13-27-18-10-8-17(9-11-18)19-14-24-20(15-23-19)25-22(4,5)6;1-16(2,3)12-7-8-15(18-11-12)20-14-9-13(10-14)19-17(4,5)6;1-13(2,3)15-12-7-8-16(11-12)9-10-17-14(4,5)6;2*1-2/h8-13,16,25H,7,14-15,17H2,1-6H3;8-11,14-15H,7,12-13,16H2,1-6H3,(H,24,25);7-8,11,13-14,19H,9-10H2,1-6H3;12,15H,7-11H2,1-6H3;2*1-2H3/t;;;12-;;/m...0../s1
InChIKeyGGJQBTRSIYCPCY-GETZRCFYSA-N
XLogP18.97
TPSA158.30 Ų
H-Bond Donors4
H-Bond Acceptors15
Rotatable Bonds23
Heavy Atoms95
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001321.03
LogP ≤ 518.97
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-tert-butyl-3-[(5-tert-butyl-2-pyridinyl)oxy]cyclobutan-1-amine;N-tert-butyl-5-[4-[3-(2,2-dimethylpropoxy)propoxy]phenyl]pyrazin-2-amine;N-tert-butyl-6-[4-[3-(2,2-dimethylpropoxy)propoxy]phenyl]pyridin-3-amine;(3S)-N-tert-butyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidin-3-amine;ethane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(1-Methylethoxy)-2-(4-morpholinyl)-8-(1H-pyrrol-3-yl)-1,7-naphthyridine
CID 118869331
US10772893, Example 41
CID 118869355
US11420970, Example 32
CID 156073361
1-[4-[4-[(2-Methyl-3-pyridinyl)methoxy]phenyl]-2-pyridinyl]piperazine
CID 137659287
3-[4-[(2-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]-7-methyl-N-[(3R)-oxolan-3-yl]pyrido[3,4-b]pyrazin-2-amine
CID 118320531
3-[4-[(2-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]-7-methyl-N-[(3S)-oxolan-3-yl]pyrido[3,4-b]pyrazin-2-amine
CID 118320532
US11420970, Example 25
CID 156073371
2-[4-[(2-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]-7-methyl-N-[(3R)-oxolan-3-yl]pyrido[3,4-b]pyrazin-3-amine
CID 118310233
2-[4-[(2-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]-7-methyl-N-[(3S)-oxolan-3-yl]pyrido[3,4-b]pyrazin-3-amine
CID 118320496
5-[[5-[4-(2-methoxyethoxy)phenyl]-4-[[(2R)-morpholin-2-yl]methylamino]-2-pyridinyl]amino]pyrazine-2-carbonitrile
CID 42610852
5-[[5-[4-(2-methoxyethoxy)phenyl]-4-[[(2S)-morpholin-2-yl]methylamino]-2-pyridinyl]amino]pyrazine-2-carbonitrile
CID 59613396
4-[5-[4-[4-[5-(4-ethoxyphenyl)-4-methyl-1H-imidazol-2-yl]-4-methyl-1-piperidyl]-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-2-pyridyl]morpholine
CID 118413895

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-3-[(5-tert-butyl-2-pyridinyl)oxy]cyclobutan-1-amine;N-tert-butyl-5-[4-[3-(2,2-dimethylpropoxy)propoxy]phenyl]pyrazin-2-amine;N-tert-butyl-6-[4-[3-(2,2-dimethylpropoxy)propoxy]phenyl]pyridin-3-amine;(3S)-N-tert-butyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidin-3-amine;ethane?
The IUPAC name of N-tert-butyl-3-[(5-tert-butyl-2-pyridinyl)oxy]cyclobutan-1-amine;N-tert-butyl-5-[4-[3-(2,2-dimethylpropoxy)propoxy]phenyl]pyrazin-2-amine;N-tert-butyl-6-[4-[3-(2,2-dimethylpropoxy)propoxy]phenyl]pyridin-3-amine;(3S)-N-tert-butyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidin-3-amine;ethane (CID 158248168) is N-tert-butyl-3-[(5-tert-butyl-2-pyridinyl)oxy]cyclobutan-1-amine;N-tert-butyl-5-[4-[3-(2,2-dimethylpropoxy)propoxy]phenyl]pyrazin-2-amine;N-tert-butyl-6-[4-[3-(2,2-dimethylpropoxy)propoxy]phenyl]pyridin-3-amine;(3S)-N-tert-butyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidin-3-amine;ethane.
What is the SMILES notation for N-tert-butyl-3-[(5-tert-butyl-2-pyridinyl)oxy]cyclobutan-1-amine;N-tert-butyl-5-[4-[3-(2,2-dimethylpropoxy)propoxy]phenyl]pyrazin-2-amine;N-tert-butyl-6-[4-[3-(2,2-dimethylpropoxy)propoxy]phenyl]pyridin-3-amine;(3S)-N-tert-butyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidin-3-amine;ethane?
The canonical SMILES for N-tert-butyl-3-[(5-tert-butyl-2-pyridinyl)oxy]cyclobutan-1-amine;N-tert-butyl-5-[4-[3-(2,2-dimethylpropoxy)propoxy]phenyl]pyrazin-2-amine;N-tert-butyl-6-[4-[3-(2,2-dimethylpropoxy)propoxy]phenyl]pyridin-3-amine;(3S)-N-tert-butyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidin-3-amine;ethane is CC.CC.CC(C)(C)COCCCOc1ccc(-c2ccc(NC(C)(C)C)cn2)cc1.CC(C)(C)COCCCOc1ccc(-c2cnc(NC(C)(C)C)cn2)cc1.CC(C)(C)NC1CC(Oc2ccc(C(C)(C)C)cn2)C1.CC(C)(C)N[C@H]1CCN(CCOC(C)(C)C)C1.
What is the InChIKey of N-tert-butyl-3-[(5-tert-butyl-2-pyridinyl)oxy]cyclobutan-1-amine;N-tert-butyl-5-[4-[3-(2,2-dimethylpropoxy)propoxy]phenyl]pyrazin-2-amine;N-tert-butyl-6-[4-[3-(2,2-dimethylpropoxy)propoxy]phenyl]pyridin-3-amine;(3S)-N-tert-butyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidin-3-amine;ethane?
The InChIKey is GGJQBTRSIYCPCY-GETZRCFYSA-N. The full InChI is InChI=1S/C23H34N2O2.C22H33N3O2.C17H28N2O.C14H30N2O.2C2H6/c1-22(2,3)17-26-14-7-15-27-20-11-8-18(9-12-20)21-13-10-19(16-24-21)25-23(4,5)6;1-21(2,3)16-26-12-7-13-27-18-10-8-17(9-11-18)19-14-24-20(15-23-19)25-22(4,5)6;1-16(2,3)12-7-8-15(18-11-12)20-14-9-13(10-14)19-17(4,5)6;1-13(2,3)15-12-7-8-16(11-12)9-10-17-14(4,5)6;2*1-2/h8-13,16,25H,7,14-15,17H2,1-6H3;8-11,14-15H,7,12-13,16H2,1-6H3,(H,24,25);7-8,11,13-14,19H,9-10H2,1-6H3;12,15H,7-11H2,1-6H3;2*1-2H3/t;;;12-;;/m...0../s1.
What are the key properties of N-tert-butyl-3-[(5-tert-butyl-2-pyridinyl)oxy]cyclobutan-1-amine;N-tert-butyl-5-[4-[3-(2,2-dimethylpropoxy)propoxy]phenyl]pyrazin-2-amine;N-tert-butyl-6-[4-[3-(2,2-dimethylpropoxy)propoxy]phenyl]pyridin-3-amine;(3S)-N-tert-butyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidin-3-amine;ethane?
N-tert-butyl-3-[(5-tert-butyl-2-pyridinyl)oxy]cyclobutan-1-amine;N-tert-butyl-5-[4-[3-(2,2-dimethylpropoxy)propoxy]phenyl]pyrazin-2-amine;N-tert-butyl-6-[4-[3-(2,2-dimethylpropoxy)propoxy]phenyl]pyridin-3-amine;(3S)-N-tert-butyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidin-3-amine;ethane has a molecular weight of 1321.03 g/mol, XLogP of 18.97, 23 rotatable bonds, 4 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-3-[(5-tert-butyl-2-pyridinyl)oxy]cyclobutan-1-amine;N-tert-butyl-5-[4-[3-(2,2-dimethylpropoxy)propoxy]phenyl]pyrazin-2-amine;N-tert-butyl-6-[4-[3-(2,2-dimethylpropoxy)propoxy]phenyl]pyridin-3-amine;(3S)-N-tert-butyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidin-3-amine;ethane is sourced from PubChem (CID 158248168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).