4-(aminomethyl)-N-[1-[3-[4-(aminomethyl)phenyl]phenyl]-2-phenylethyl]cyclohexane-1-carboxamide

C29H35N3O — CID 25254118

IUPAC4-(aminomethyl)-N-[1-[3-[4-(aminomethyl)phenyl]phenyl]-2-phenylethyl]cyclohexane-1-carboxamide
SMILESNCc1ccc(-c2cccc(C(Cc3ccccc3)NC(=O)C3CCC(CN)CC3)c2)cc1
InChIInChI=1S/C29H35N3O/c30-19-22-9-13-24(14-10-22)26-7-4-8-27(18-26)28(17-21-5-2-1-3-6-21)32-29(33)25-15-11-23(20-31)12-16-25/h1-10,13-14,18,23,25,28H,11-12,15-17,19-20,30-31H2,(H,32,33)
InChIKeyHOCWJYXRKDUSFK-UHFFFAOYSA-N
MW441.62 g/mol
LogP4.98
Rot. Bonds8

About 4-(aminomethyl)-N-[1-[3-[4-(aminomethyl)phenyl]phenyl]-2-phenylethyl]cyclohexane-1-carboxamide

4-(aminomethyl)-N-[1-[3-[4-(aminomethyl)phenyl]phenyl]-2-phenylethyl]cyclohexane-1-carboxamide (PubChem CID 25254118) has the molecular formula C29H35N3O and a molecular weight of 441.62 g/mol. Its IUPAC name is 4-(aminomethyl)-N-[1-[3-[4-(aminomethyl)phenyl]phenyl]-2-phenylethyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-(aminomethyl)-N-[1-[3-[4-(aminomethyl)phenyl]phenyl]-2-phenylethyl]cyclohexane-1-carboxamide
PubChem CID25254118
Molecular FormulaC29H35N3O
Molecular Weight441.62 g/mol
Exact Mass441.28
IUPAC Name4-(aminomethyl)-N-[1-[3-[4-(aminomethyl)phenyl]phenyl]-2-phenylethyl]cyclohexane-1-carboxamide
SMILESNCc1ccc(-c2cccc(C(Cc3ccccc3)NC(=O)C3CCC(CN)CC3)c2)cc1
InChIInChI=1S/C29H35N3O/c30-19-22-9-13-24(14-10-22)26-7-4-8-27(18-26)28(17-21-5-2-1-3-6-21)32-29(33)25-15-11-23(20-31)12-16-25/h1-10,13-14,18,23,25,28H,11-12,15-17,19-20,30-31H2,(H,32,33)
InChIKeyHOCWJYXRKDUSFK-UHFFFAOYSA-N
XLogP4.98
TPSA81.14 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.62
LogP ≤ 54.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-(aminomethyl)-N-[1-[3-(3-aminophenyl)phenyl]-2-phenylethyl]cyclohexane-1-carboxamide
CID 25253636
4-(aminomethyl)-N-[1-[3-(4-methoxyphenyl)phenyl]-2-phenylethyl]cyclohexane-1-carboxamide
CID 25253957
2-amino-5-[3-[1-[[4-(aminomethyl)cyclohexanecarbonyl]amino]-2-phenylethyl]phenyl]benzoic acid
CID 25254573
N-[(1R)-1-[3-(3-amino-1H-indazol-6-yl)phenyl]-2-phenylethyl]-4-(aminomethyl)cyclohexane-1-carboxamide
CID 25253020
4-(aminomethyl)-N-[1-[3-[2-(methanesulfonamido)phenyl]phenyl]-2-phenylethyl]cyclohexane-1-carboxamide
CID 25253794
4-(aminomethyl)-N-[1-[4-(3-hydroxyphenyl)-2-pyridinyl]-2-phenylethyl]cyclohexane-1-carboxamide
CID 11661912
4-(aminomethyl)-N-[(1S)-2-phenyl-1-(5-phenyl-1,3-oxazol-2-yl)ethyl]cyclohexane-1-carboxamide
CID 66674212
N-[1-[3-amino-5-(3-amino-1H-indazol-6-yl)phenyl]-2-phenylethyl]-4-(aminomethyl)cyclohexane-1-carboxamide;1,1,1,4,4,4-hexafluorobutane-2,3-dione
CID 159098762
4-(aminomethyl)-N-[1-[4-(2-fluoro-4-pyridinyl)-2-pyridinyl]-2-phenylethyl]cyclohexane-1-carboxamide
CID 11697735
4-(aminomethyl)-N-[1-(1H-imidazol-2-yl)-2-phenylethyl]cyclohexane-1-carboxamide
CID 141134239
2-[3-[2-[1-[[4-(aminomethyl)cyclohexanecarbonyl]amino]-2-phenylethyl]-1H-imidazol-5-yl]phenyl]acetic acid
CID 66674691
4-(aminomethyl)-N-[(2S)-1-(dimethylamino)-1-oxo-3-phenylpropan-2-yl]cyclohexane-1-carboxamide;hydrochloride
CID 14837094

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-[1-[3-[4-(aminomethyl)phenyl]phenyl]-2-phenylethyl]cyclohexane-1-carboxamide?
The IUPAC name of 4-(aminomethyl)-N-[1-[3-[4-(aminomethyl)phenyl]phenyl]-2-phenylethyl]cyclohexane-1-carboxamide (CID 25254118) is 4-(aminomethyl)-N-[1-[3-[4-(aminomethyl)phenyl]phenyl]-2-phenylethyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 4-(aminomethyl)-N-[1-[3-[4-(aminomethyl)phenyl]phenyl]-2-phenylethyl]cyclohexane-1-carboxamide?
The canonical SMILES for 4-(aminomethyl)-N-[1-[3-[4-(aminomethyl)phenyl]phenyl]-2-phenylethyl]cyclohexane-1-carboxamide is NCc1ccc(-c2cccc(C(Cc3ccccc3)NC(=O)C3CCC(CN)CC3)c2)cc1.
What is the InChIKey of 4-(aminomethyl)-N-[1-[3-[4-(aminomethyl)phenyl]phenyl]-2-phenylethyl]cyclohexane-1-carboxamide?
The InChIKey is HOCWJYXRKDUSFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H35N3O/c30-19-22-9-13-24(14-10-22)26-7-4-8-27(18-26)28(17-21-5-2-1-3-6-21)32-29(33)25-15-11-23(20-31)12-16-25/h1-10,13-14,18,23,25,28H,11-12,15-17,19-20,30-31H2,(H,32,33).
What are the key properties of 4-(aminomethyl)-N-[1-[3-[4-(aminomethyl)phenyl]phenyl]-2-phenylethyl]cyclohexane-1-carboxamide?
4-(aminomethyl)-N-[1-[3-[4-(aminomethyl)phenyl]phenyl]-2-phenylethyl]cyclohexane-1-carboxamide has a molecular weight of 441.62 g/mol, XLogP of 4.98, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-[1-[3-[4-(aminomethyl)phenyl]phenyl]-2-phenylethyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 25254118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).