N-[2-(aminomethyl)cyclopentyl]-2-(2,6-dimethylanilino)acetamide

C16H25N3O — CID 119605321

IUPACN-[2-(aminomethyl)cyclopentyl]-2-(2,6-dimethylanilino)acetamide
SMILESCc1cccc(C)c1NCC(=O)NC1CCCC1CN
InChIInChI=1S/C16H25N3O/c1-11-5-3-6-12(2)16(11)18-10-15(20)19-14-8-4-7-13(14)9-17/h3,5-6,13-14,18H,4,7-10,17H2,1-2H3,(H,19,20)
InChIKeyQNUANEBAYKWRRI-UHFFFAOYSA-N
MW275.40 g/mol
LogP1.96
Rot. Bonds5

About N-[2-(aminomethyl)cyclopentyl]-2-(2,6-dimethylanilino)acetamide

N-[2-(aminomethyl)cyclopentyl]-2-(2,6-dimethylanilino)acetamide (PubChem CID 119605321) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is N-[2-(aminomethyl)cyclopentyl]-2-(2,6-dimethylanilino)acetamide.

Molecular Properties

Compound NameN-[2-(aminomethyl)cyclopentyl]-2-(2,6-dimethylanilino)acetamide
PubChem CID119605321
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC NameN-[2-(aminomethyl)cyclopentyl]-2-(2,6-dimethylanilino)acetamide
SMILESCc1cccc(C)c1NCC(=O)NC1CCCC1CN
InChIInChI=1S/C16H25N3O/c1-11-5-3-6-12(2)16(11)18-10-15(20)19-14-8-4-7-13(14)9-17/h3,5-6,13-14,18H,4,7-10,17H2,1-2H3,(H,19,20)
InChIKeyQNUANEBAYKWRRI-UHFFFAOYSA-N
XLogP1.96
TPSA67.15 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 ≤ 51.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(aminomethyl)cyclopentyl]-2-(2,6-dimethylphenoxy)acetamide
CID 119605033
N-[2-(aminomethyl)cyclopentyl]-2-(2,5-dimethylphenyl)acetamide;hydrochloride
CID 119604312
N-[2-(aminomethyl)cyclopentyl]-3-(3-methylphenyl)propanamide
CID 62955686
N-[2-(aminomethyl)cyclohexyl]-2-methylbenzamide;hydrochloride
CID 119609179
N-[2-(aminomethyl)cyclopentyl]-2-(2-bromophenyl)acetamide;hydrochloride
CID 119603681
N-[2-(aminomethyl)cyclohexyl]-2-iodo-3-methylbenzamide;hydrochloride
CID 119610198
N-[2-(aminomethyl)cyclopentyl]-2-[(2-fluorobenzoyl)amino]-3-methylbenzamide;hydrochloride
CID 119605190
N-[2-(aminomethyl)cyclopentyl]-2-(3-methylphenoxy)acetamide
CID 119603622
N-[2-(aminomethyl)cyclopentyl]-2-(4-butylphenyl)acetamide
CID 119604897
N-[2-(aminomethyl)cyclopentyl]-2-(2,3-difluorophenyl)acetamide;hydrochloride
CID 119604124
N-[2-[[2-(aminomethyl)cyclohexyl]amino]-2-oxoethyl]benzamide;hydrochloride
CID 119611319
N-[(1R,2S)-2-(aminomethyl)cyclopentyl]-6-methylpyridine-2-carboxamide
CID 139013357

Frequently Asked Questions

What is the IUPAC name of N-[2-(aminomethyl)cyclopentyl]-2-(2,6-dimethylanilino)acetamide?
The IUPAC name of N-[2-(aminomethyl)cyclopentyl]-2-(2,6-dimethylanilino)acetamide (CID 119605321) is N-[2-(aminomethyl)cyclopentyl]-2-(2,6-dimethylanilino)acetamide.
What is the SMILES notation for N-[2-(aminomethyl)cyclopentyl]-2-(2,6-dimethylanilino)acetamide?
The canonical SMILES for N-[2-(aminomethyl)cyclopentyl]-2-(2,6-dimethylanilino)acetamide is Cc1cccc(C)c1NCC(=O)NC1CCCC1CN.
What is the InChIKey of N-[2-(aminomethyl)cyclopentyl]-2-(2,6-dimethylanilino)acetamide?
The InChIKey is QNUANEBAYKWRRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-11-5-3-6-12(2)16(11)18-10-15(20)19-14-8-4-7-13(14)9-17/h3,5-6,13-14,18H,4,7-10,17H2,1-2H3,(H,19,20).
What are the key properties of N-[2-(aminomethyl)cyclopentyl]-2-(2,6-dimethylanilino)acetamide?
N-[2-(aminomethyl)cyclopentyl]-2-(2,6-dimethylanilino)acetamide has a molecular weight of 275.40 g/mol, XLogP of 1.96, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(aminomethyl)cyclopentyl]-2-(2,6-dimethylanilino)acetamide is sourced from PubChem (CID 119605321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).