2-(aminomethyl)-N-(3,3-dimethylbutyl)cyclopentane-1-carboxamide

C13H26N2O — CID 115747505

IUPAC2-(aminomethyl)-N-(3,3-dimethylbutyl)cyclopentane-1-carboxamide
SMILESCC(C)(C)CCNC(=O)C1CCCC1CN
InChIInChI=1S/C13H26N2O/c1-13(2,3)7-8-15-12(16)11-6-4-5-10(11)9-14/h10-11H,4-9,14H2,1-3H3,(H,15,16)
InChIKeyDLSCISCFDMOVMV-UHFFFAOYSA-N
MW226.36 g/mol
LogP1.91
Rot. Bonds4

About 2-(aminomethyl)-N-(3,3-dimethylbutyl)cyclopentane-1-carboxamide

2-(aminomethyl)-N-(3,3-dimethylbutyl)cyclopentane-1-carboxamide (PubChem CID 115747505) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is 2-(aminomethyl)-N-(3,3-dimethylbutyl)cyclopentane-1-carboxamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-(3,3-dimethylbutyl)cyclopentane-1-carboxamide
PubChem CID115747505
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC Name2-(aminomethyl)-N-(3,3-dimethylbutyl)cyclopentane-1-carboxamide
SMILESCC(C)(C)CCNC(=O)C1CCCC1CN
InChIInChI=1S/C13H26N2O/c1-13(2,3)7-8-15-12(16)11-6-4-5-10(11)9-14/h10-11H,4-9,14H2,1-3H3,(H,15,16)
InChIKeyDLSCISCFDMOVMV-UHFFFAOYSA-N
XLogP1.91
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(aminomethyl)-N-(4,4,4-trifluorobutyl)cyclohexane-1-carboxamide
CID 113327463
2-(aminomethyl)-N-(4-hydroxy-2,2-dimethylbutyl)cyclopentane-1-carboxamide
CID 106148063
2-(aminomethyl)-N-(5-hydroxypentyl)cyclopentane-1-carboxamide
CID 107317629
2-(aminomethyl)-N-[2-(methylsulfamoyl)ethyl]cyclopentane-1-carboxamide
CID 114175192
4-[[2-(aminomethyl)cyclopentanecarbonyl]amino]-2-methylbutanoic acid
CID 80539395
2-(aminomethyl)-N-(3-methyl-2-propan-2-ylbutyl)cyclopentane-1-carboxamide
CID 102906008
2-(3,3-dimethylbutylcarbamoyl)cyclobutane-1-carboxylic acid
CID 120975213
3-[[2-(aminomethyl)cyclohexanecarbonyl]amino]-2-hydroxy-2-methylpropanoic acid
CID 66175768
2-(aminomethyl)-N-[4-(cyclopropylamino)-4-oxobutyl]cyclopentane-1-carboxamide
CID 79401536
2-(aminomethyl)-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]cyclohexane-1-carboxamide
CID 79363022
2-(aminomethyl)-N-[3-[methyl(propan-2-yl)amino]propyl]cyclohexane-1-carboxamide
CID 106047668
2-[2-[[2-(aminomethyl)cyclohexanecarbonyl]amino]ethoxy]acetic acid
CID 79457580

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-(3,3-dimethylbutyl)cyclopentane-1-carboxamide?
The IUPAC name of 2-(aminomethyl)-N-(3,3-dimethylbutyl)cyclopentane-1-carboxamide (CID 115747505) is 2-(aminomethyl)-N-(3,3-dimethylbutyl)cyclopentane-1-carboxamide.
What is the SMILES notation for 2-(aminomethyl)-N-(3,3-dimethylbutyl)cyclopentane-1-carboxamide?
The canonical SMILES for 2-(aminomethyl)-N-(3,3-dimethylbutyl)cyclopentane-1-carboxamide is CC(C)(C)CCNC(=O)C1CCCC1CN.
What is the InChIKey of 2-(aminomethyl)-N-(3,3-dimethylbutyl)cyclopentane-1-carboxamide?
The InChIKey is DLSCISCFDMOVMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-13(2,3)7-8-15-12(16)11-6-4-5-10(11)9-14/h10-11H,4-9,14H2,1-3H3,(H,15,16).
What are the key properties of 2-(aminomethyl)-N-(3,3-dimethylbutyl)cyclopentane-1-carboxamide?
2-(aminomethyl)-N-(3,3-dimethylbutyl)cyclopentane-1-carboxamide has a molecular weight of 226.36 g/mol, XLogP of 1.91, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-(3,3-dimethylbutyl)cyclopentane-1-carboxamide is sourced from PubChem (CID 115747505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).