N-[2-(aminomethyl)cyclohexyl]-2-(4-aminophenyl)acetamide

C15H23N3O — CID 122080741

IUPACN-[2-(aminomethyl)cyclohexyl]-2-(4-aminophenyl)acetamide
SMILESNCC1CCCCC1NC(=O)Cc1ccc(N)cc1
InChIInChI=1S/C15H23N3O/c16-10-12-3-1-2-4-14(12)18-15(19)9-11-5-7-13(17)8-6-11/h5-8,12,14H,1-4,9-10,16-17H2,(H,18,19)
InChIKeyMENCRLWJAMNRGP-UHFFFAOYSA-N
MW261.37 g/mol
LogP1.45
Rot. Bonds4

About N-[2-(aminomethyl)cyclohexyl]-2-(4-aminophenyl)acetamide

N-[2-(aminomethyl)cyclohexyl]-2-(4-aminophenyl)acetamide (PubChem CID 122080741) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is N-[2-(aminomethyl)cyclohexyl]-2-(4-aminophenyl)acetamide.

Molecular Properties

Compound NameN-[2-(aminomethyl)cyclohexyl]-2-(4-aminophenyl)acetamide
PubChem CID122080741
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC NameN-[2-(aminomethyl)cyclohexyl]-2-(4-aminophenyl)acetamide
SMILESNCC1CCCCC1NC(=O)Cc1ccc(N)cc1
InChIInChI=1S/C15H23N3O/c16-10-12-3-1-2-4-14(12)18-15(19)9-11-5-7-13(17)8-6-11/h5-8,12,14H,1-4,9-10,16-17H2,(H,18,19)
InChIKeyMENCRLWJAMNRGP-UHFFFAOYSA-N
XLogP1.45
TPSA81.14 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 51.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-[2-(aminomethyl)cyclohexyl]-2-[4-(trifluoromethyl)phenyl]acetamide;hydrochloride
CID 119611009
N-[2-(aminomethyl)cyclopentyl]-2-(4-butylphenyl)acetamide
CID 119604897
2-(4-aminophenyl)-N-(2-methylcyclohexyl)acetamide;hydrochloride
CID 119676478
N-[2-(aminomethyl)cyclohexyl]-2-[4-(difluoromethylsulfonyl)phenyl]acetamide;hydrochloride
CID 119610407
N-[2-(aminomethyl)cyclopentyl]-2-(4-ethoxyphenyl)acetamide;hydrochloride
CID 119600531
N-[2-(aminomethyl)cyclohexyl]-3-(2-aminophenyl)propanamide
CID 122080752
N-[2-(aminomethyl)cyclopentyl]-2-naphthalen-2-ylacetamide;hydrochloride
CID 119600586
N-[2-(aminomethyl)cyclopentyl]-2-(1,3-benzodioxol-5-yl)acetamide;hydrochloride
CID 119602507
2-(4-aminophenyl)-N-cyclobutylacetamide
CID 62416481
N-[2-(aminomethyl)cyclohexyl]-2-(3-fluoro-4-methoxyphenyl)acetamide;hydrochloride
CID 119609283
N-[2-(aminomethyl)cyclohexyl]-2-(3-nitrophenyl)acetamide
CID 115737499
N-[2-(aminomethyl)cyclohexyl]-3-(4-ethylphenyl)butanamide
CID 119609944

Frequently Asked Questions

What is the IUPAC name of N-[2-(aminomethyl)cyclohexyl]-2-(4-aminophenyl)acetamide?
The IUPAC name of N-[2-(aminomethyl)cyclohexyl]-2-(4-aminophenyl)acetamide (CID 122080741) is N-[2-(aminomethyl)cyclohexyl]-2-(4-aminophenyl)acetamide.
What is the SMILES notation for N-[2-(aminomethyl)cyclohexyl]-2-(4-aminophenyl)acetamide?
The canonical SMILES for N-[2-(aminomethyl)cyclohexyl]-2-(4-aminophenyl)acetamide is NCC1CCCCC1NC(=O)Cc1ccc(N)cc1.
What is the InChIKey of N-[2-(aminomethyl)cyclohexyl]-2-(4-aminophenyl)acetamide?
The InChIKey is MENCRLWJAMNRGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c16-10-12-3-1-2-4-14(12)18-15(19)9-11-5-7-13(17)8-6-11/h5-8,12,14H,1-4,9-10,16-17H2,(H,18,19).
What are the key properties of N-[2-(aminomethyl)cyclohexyl]-2-(4-aminophenyl)acetamide?
N-[2-(aminomethyl)cyclohexyl]-2-(4-aminophenyl)acetamide has a molecular weight of 261.37 g/mol, XLogP of 1.45, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(aminomethyl)cyclohexyl]-2-(4-aminophenyl)acetamide is sourced from PubChem (CID 122080741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).