N-[[1-(aminomethyl)cyclopentyl]methyl]-2-tert-butylbenzamide

C18H28N2O — CID 115365396

IUPACN-[[1-(aminomethyl)cyclopentyl]methyl]-2-tert-butylbenzamide
SMILESCC(C)(C)c1ccccc1C(=O)NCC1(CN)CCCC1
InChIInChI=1S/C18H28N2O/c1-17(2,3)15-9-5-4-8-14(15)16(21)20-13-18(12-19)10-6-7-11-18/h4-5,8-9H,6-7,10-13,19H2,1-3H3,(H,20,21)
InChIKeyFHSHGNWSOFPDTJ-UHFFFAOYSA-N
MW288.43 g/mol
LogP3.23
Rot. Bonds4

About N-[[1-(aminomethyl)cyclopentyl]methyl]-2-tert-butylbenzamide

N-[[1-(aminomethyl)cyclopentyl]methyl]-2-tert-butylbenzamide (PubChem CID 115365396) has the molecular formula C18H28N2O and a molecular weight of 288.43 g/mol. Its IUPAC name is N-[[1-(aminomethyl)cyclopentyl]methyl]-2-tert-butylbenzamide.

Molecular Properties

Compound NameN-[[1-(aminomethyl)cyclopentyl]methyl]-2-tert-butylbenzamide
PubChem CID115365396
Molecular FormulaC18H28N2O
Molecular Weight288.43 g/mol
Exact Mass288.22
IUPAC NameN-[[1-(aminomethyl)cyclopentyl]methyl]-2-tert-butylbenzamide
SMILESCC(C)(C)c1ccccc1C(=O)NCC1(CN)CCCC1
InChIInChI=1S/C18H28N2O/c1-17(2,3)15-9-5-4-8-14(15)16(21)20-13-18(12-19)10-6-7-11-18/h4-5,8-9H,6-7,10-13,19H2,1-3H3,(H,20,21)
InChIKeyFHSHGNWSOFPDTJ-UHFFFAOYSA-N
XLogP3.23
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.43
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-[[1-(aminomethyl)cyclopentyl]methyl]-2-tert-butylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(1-aminocyclobutyl)methyl]-2-tert-butylbenzamide
CID 103352560
N-[[1-(aminomethyl)cyclohexyl]methyl]-2-ethoxybenzamide
CID 103970265
N-[[1-[(dimethylamino)methyl]cyclopentyl]methyl]-2-(trifluoromethyl)benzamide
CID 75456837
N-[[1-(aminomethyl)cyclopentyl]methyl]quinoline-4-carboxamide
CID 115365406
N-(6-aminohexyl)-2-tert-butylbenzamide
CID 107843835
2-amino-N-[(1-ethylcyclobutyl)methyl]benzamide
CID 103822063
N-[[1-(aminomethyl)cyclohexyl]methyl]-2-hydroxy-5-methylbenzamide
CID 103970199
N-[[1-(aminomethyl)cyclopentyl]methyl]-2,5-dimethylfuran-3-carboxamide
CID 113295147
N-[[1-(aminomethyl)cyclobutyl]methyl]pyrazolo[1,5-a]pyridine-4-carboxamide
CID 166253048
N-[[1-(aminomethyl)cyclopropyl]methyl]quinoline-8-carboxamide
CID 115456767
N-[[1-(aminomethyl)cyclopropyl]methyl]-1-benzothiophene-3-carboxamide
CID 115271314
N-[[1-(aminomethyl)cyclopropyl]methyl]-1-benzofuran-3-carboxamide
CID 113313648

Frequently Asked Questions

What is the IUPAC name of N-[[1-(aminomethyl)cyclopentyl]methyl]-2-tert-butylbenzamide?
The IUPAC name of N-[[1-(aminomethyl)cyclopentyl]methyl]-2-tert-butylbenzamide (CID 115365396) is N-[[1-(aminomethyl)cyclopentyl]methyl]-2-tert-butylbenzamide.
What is the SMILES notation for N-[[1-(aminomethyl)cyclopentyl]methyl]-2-tert-butylbenzamide?
The canonical SMILES for N-[[1-(aminomethyl)cyclopentyl]methyl]-2-tert-butylbenzamide is CC(C)(C)c1ccccc1C(=O)NCC1(CN)CCCC1.
What is the InChIKey of N-[[1-(aminomethyl)cyclopentyl]methyl]-2-tert-butylbenzamide?
The InChIKey is FHSHGNWSOFPDTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O/c1-17(2,3)15-9-5-4-8-14(15)16(21)20-13-18(12-19)10-6-7-11-18/h4-5,8-9H,6-7,10-13,19H2,1-3H3,(H,20,21).
What are the key properties of N-[[1-(aminomethyl)cyclopentyl]methyl]-2-tert-butylbenzamide?
N-[[1-(aminomethyl)cyclopentyl]methyl]-2-tert-butylbenzamide has a molecular weight of 288.43 g/mol, XLogP of 3.23, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(aminomethyl)cyclopentyl]methyl]-2-tert-butylbenzamide is sourced from PubChem (CID 115365396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).