N-[2-(aminomethyl)cyclohexyl]-3-(2-aminophenyl)propanamide

C16H25N3O — CID 122080752

IUPACN-[2-(aminomethyl)cyclohexyl]-3-(2-aminophenyl)propanamide
SMILESNCC1CCCCC1NC(=O)CCc1ccccc1N
InChIInChI=1S/C16H25N3O/c17-11-13-6-2-4-8-15(13)19-16(20)10-9-12-5-1-3-7-14(12)18/h1,3,5,7,13,15H,2,4,6,8-11,17-18H2,(H,19,20)
InChIKeyDLLXPXCJAGARHT-UHFFFAOYSA-N
MW275.40 g/mol
LogP1.84
Rot. Bonds5

About N-[2-(aminomethyl)cyclohexyl]-3-(2-aminophenyl)propanamide

N-[2-(aminomethyl)cyclohexyl]-3-(2-aminophenyl)propanamide (PubChem CID 122080752) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is N-[2-(aminomethyl)cyclohexyl]-3-(2-aminophenyl)propanamide.

Molecular Properties

Compound NameN-[2-(aminomethyl)cyclohexyl]-3-(2-aminophenyl)propanamide
PubChem CID122080752
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC NameN-[2-(aminomethyl)cyclohexyl]-3-(2-aminophenyl)propanamide
SMILESNCC1CCCCC1NC(=O)CCc1ccccc1N
InChIInChI=1S/C16H25N3O/c17-11-13-6-2-4-8-15(13)19-16(20)10-9-12-5-1-3-7-14(12)18/h1,3,5,7,13,15H,2,4,6,8-11,17-18H2,(H,19,20)
InChIKeyDLLXPXCJAGARHT-UHFFFAOYSA-N
XLogP1.84
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 ≤ 51.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(2-aminophenyl)-N-(2-ethylcyclohexyl)propanamide;hydrochloride
CID 120609307
N-[2-(aminomethyl)cyclohexyl]-3-(2-bromophenyl)propanamide;hydrochloride
CID 119611792
N-[2-(aminomethyl)cyclohexyl]-3-(2-methoxyphenyl)propanamide;hydrochloride
CID 119609653
N-[2-(aminomethyl)cyclopentyl]-3-[2-(trifluoromethoxy)phenyl]propanamide
CID 119604035
N-[2-(aminomethyl)cyclohexyl]-3-naphthalen-2-ylpropanamide
CID 119611998
N-[2-(aminomethyl)cyclohexyl]-3-(2,4-dimethylphenyl)propanamide;hydrochloride
CID 119609666
N-[2-(aminomethyl)cyclohexyl]-2-(4-aminophenyl)acetamide
CID 122080741
3-(2-aminophenyl)-N-[(2-hydroxycyclohexyl)methyl]propanamide;hydrochloride
CID 120611060
N-[2-(aminomethyl)cyclohexyl]-3-pyridin-3-ylpropanamide
CID 81483186
N-[2-(aminomethyl)cyclopentyl]-3-(2,4-dichlorophenyl)propanamide
CID 119604389
N-[2-(aminomethyl)cyclopentyl]-2-(2-bromophenyl)acetamide;hydrochloride
CID 119603681
4-[3-(2-aminophenyl)propanoylamino]cyclohexane-1-carboxamide
CID 107272785

Frequently Asked Questions

What is the IUPAC name of N-[2-(aminomethyl)cyclohexyl]-3-(2-aminophenyl)propanamide?
The IUPAC name of N-[2-(aminomethyl)cyclohexyl]-3-(2-aminophenyl)propanamide (CID 122080752) is N-[2-(aminomethyl)cyclohexyl]-3-(2-aminophenyl)propanamide.
What is the SMILES notation for N-[2-(aminomethyl)cyclohexyl]-3-(2-aminophenyl)propanamide?
The canonical SMILES for N-[2-(aminomethyl)cyclohexyl]-3-(2-aminophenyl)propanamide is NCC1CCCCC1NC(=O)CCc1ccccc1N.
What is the InChIKey of N-[2-(aminomethyl)cyclohexyl]-3-(2-aminophenyl)propanamide?
The InChIKey is DLLXPXCJAGARHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c17-11-13-6-2-4-8-15(13)19-16(20)10-9-12-5-1-3-7-14(12)18/h1,3,5,7,13,15H,2,4,6,8-11,17-18H2,(H,19,20).
What are the key properties of N-[2-(aminomethyl)cyclohexyl]-3-(2-aminophenyl)propanamide?
N-[2-(aminomethyl)cyclohexyl]-3-(2-aminophenyl)propanamide has a molecular weight of 275.40 g/mol, XLogP of 1.84, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(aminomethyl)cyclohexyl]-3-(2-aminophenyl)propanamide is sourced from PubChem (CID 122080752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).