3-amino-N-[2-(aminomethyl)cyclohexyl]-3-phenylpropanamide

C16H25N3O — CID 122080744

IUPAC3-amino-N-[2-(aminomethyl)cyclohexyl]-3-phenylpropanamide
SMILESNCC1CCCCC1NC(=O)CC(N)c1ccccc1
InChIInChI=1S/C16H25N3O/c17-11-13-8-4-5-9-15(13)19-16(20)10-14(18)12-6-2-1-3-7-12/h1-3,6-7,13-15H,4-5,8-11,17-18H2,(H,19,20)
InChIKeyPAVZDNFVWIEPPW-UHFFFAOYSA-N
MW275.40 g/mol
LogP1.71
Rot. Bonds5

About 3-amino-N-[2-(aminomethyl)cyclohexyl]-3-phenylpropanamide

3-amino-N-[2-(aminomethyl)cyclohexyl]-3-phenylpropanamide (PubChem CID 122080744) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is 3-amino-N-[2-(aminomethyl)cyclohexyl]-3-phenylpropanamide.

Molecular Properties

Compound Name3-amino-N-[2-(aminomethyl)cyclohexyl]-3-phenylpropanamide
PubChem CID122080744
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC Name3-amino-N-[2-(aminomethyl)cyclohexyl]-3-phenylpropanamide
SMILESNCC1CCCCC1NC(=O)CC(N)c1ccccc1
InChIInChI=1S/C16H25N3O/c17-11-13-8-4-5-9-15(13)19-16(20)10-14(18)12-6-2-1-3-7-12/h1-3,6-7,13-15H,4-5,8-11,17-18H2,(H,19,20)
InChIKeyPAVZDNFVWIEPPW-UHFFFAOYSA-N
XLogP1.71
TPSA81.14 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 51.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(aminomethyl)cyclohexyl]-4-methyl-3-phenylpentanamide;hydrochloride
CID 119609450
2-[(3-amino-3-phenylpropanoyl)amino]cyclohexane-1-carboxylic acid
CID 64816023
N-[2-(aminomethyl)cyclopentyl]-3-phenylpentanamide;hydrochloride
CID 119604654
N-[2-(aminomethyl)cyclopentyl]-4,4,4-trifluoro-3-phenylbutanamide;hydrochloride
CID 119602801
N-[2-(aminomethyl)cyclohexyl]-3-(2-methoxyphenyl)butanamide
CID 119609890
3-amino-N-(2-ethylsulfanylcyclohexyl)-3-phenylpropanamide;hydrochloride
CID 119952204
4-[(3-amino-3-phenylpropanoyl)amino]cyclohexane-1-carboxylic acid
CID 61160281
3-amino-N-(2-benzylcyclohexyl)butanamide
CID 119773392
N-[2-[[2-(aminomethyl)cyclohexyl]amino]-2-oxoethyl]benzamide;hydrochloride
CID 119611319
N-[2-(aminomethyl)cyclohexyl]-3-(4-ethylphenyl)butanamide
CID 119609944
3-amino-3-phenyl-N-(2-phenyloxolan-3-yl)propanamide
CID 119952210
N-[2-(aminomethyl)cyclopentyl]-3-methyl-2-phenylbutanamide;hydrochloride
CID 119601012

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-(aminomethyl)cyclohexyl]-3-phenylpropanamide?
The IUPAC name of 3-amino-N-[2-(aminomethyl)cyclohexyl]-3-phenylpropanamide (CID 122080744) is 3-amino-N-[2-(aminomethyl)cyclohexyl]-3-phenylpropanamide.
What is the SMILES notation for 3-amino-N-[2-(aminomethyl)cyclohexyl]-3-phenylpropanamide?
The canonical SMILES for 3-amino-N-[2-(aminomethyl)cyclohexyl]-3-phenylpropanamide is NCC1CCCCC1NC(=O)CC(N)c1ccccc1.
What is the InChIKey of 3-amino-N-[2-(aminomethyl)cyclohexyl]-3-phenylpropanamide?
The InChIKey is PAVZDNFVWIEPPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c17-11-13-8-4-5-9-15(13)19-16(20)10-14(18)12-6-2-1-3-7-12/h1-3,6-7,13-15H,4-5,8-11,17-18H2,(H,19,20).
What are the key properties of 3-amino-N-[2-(aminomethyl)cyclohexyl]-3-phenylpropanamide?
3-amino-N-[2-(aminomethyl)cyclohexyl]-3-phenylpropanamide has a molecular weight of 275.40 g/mol, XLogP of 1.71, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[2-(aminomethyl)cyclohexyl]-3-phenylpropanamide is sourced from PubChem (CID 122080744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).