N-[1-(aminomethyl)cyclohexyl]-2-methylpentanamide

C13H26N2O — CID 63755495

IUPACN-[1-(aminomethyl)cyclohexyl]-2-methylpentanamide
SMILESCCCC(C)C(=O)NC1(CN)CCCCC1
InChIInChI=1S/C13H26N2O/c1-3-7-11(2)12(16)15-13(10-14)8-5-4-6-9-13/h11H,3-10,14H2,1-2H3,(H,15,16)
InChIKeyILQUHIPNTORUHV-UHFFFAOYSA-N
MW226.36 g/mol
LogP2.20
Rot. Bonds5

About N-[1-(aminomethyl)cyclohexyl]-2-methylpentanamide

N-[1-(aminomethyl)cyclohexyl]-2-methylpentanamide (PubChem CID 63755495) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is N-[1-(aminomethyl)cyclohexyl]-2-methylpentanamide.

Molecular Properties

Compound NameN-[1-(aminomethyl)cyclohexyl]-2-methylpentanamide
PubChem CID63755495
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC NameN-[1-(aminomethyl)cyclohexyl]-2-methylpentanamide
SMILESCCCC(C)C(=O)NC1(CN)CCCCC1
InChIInChI=1S/C13H26N2O/c1-3-7-11(2)12(16)15-13(10-14)8-5-4-6-9-13/h11H,3-10,14H2,1-2H3,(H,15,16)
InChIKeyILQUHIPNTORUHV-UHFFFAOYSA-N
XLogP2.20
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(aminomethyl)cyclohexyl]-2-methylbutanamide
CID 63756005
N-[1-(aminomethyl)cyclopentyl]-3-methylhexanamide
CID 119566665
N-[1-(aminomethyl)cyclopentyl]-2-(carbamoylamino)hexanamide;hydrochloride
CID 119565556
N-[1-(aminomethyl)cyclopentyl]-4-(2-fluorophenyl)-2-methylbutanamide;hydrochloride
CID 119565655
1-[1-(aminomethyl)cyclohexyl]-2-methylpentan-1-one
CID 107890311
1-[1-(aminomethyl)cycloheptyl]-2-methylpentan-1-one
CID 107890324
N-[1-(aminomethyl)cyclohexyl]-2-phenylbutanamide
CID 63754584
methyl N-[1-(aminomethyl)cyclohexyl]carbamate
CID 63765596
N-[1-[[1-(aminomethyl)cyclopentyl]amino]-1-oxopropan-2-yl]-2,2-dimethylpropanamide;hydrochloride
CID 119567720
2-methylpropyl N-[1-(aminomethyl)cyclopentyl]carbamate
CID 63766538
N-[1-(aminomethyl)cyclohexyl]-2-methoxy-2-methylbutanamide
CID 114106377
N-[1-(aminomethyl)cyclopentyl]-2-propan-2-yloxyacetamide
CID 112701354

Frequently Asked Questions

What is the IUPAC name of N-[1-(aminomethyl)cyclohexyl]-2-methylpentanamide?
The IUPAC name of N-[1-(aminomethyl)cyclohexyl]-2-methylpentanamide (CID 63755495) is N-[1-(aminomethyl)cyclohexyl]-2-methylpentanamide.
What is the SMILES notation for N-[1-(aminomethyl)cyclohexyl]-2-methylpentanamide?
The canonical SMILES for N-[1-(aminomethyl)cyclohexyl]-2-methylpentanamide is CCCC(C)C(=O)NC1(CN)CCCCC1.
What is the InChIKey of N-[1-(aminomethyl)cyclohexyl]-2-methylpentanamide?
The InChIKey is ILQUHIPNTORUHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-3-7-11(2)12(16)15-13(10-14)8-5-4-6-9-13/h11H,3-10,14H2,1-2H3,(H,15,16).
What are the key properties of N-[1-(aminomethyl)cyclohexyl]-2-methylpentanamide?
N-[1-(aminomethyl)cyclohexyl]-2-methylpentanamide has a molecular weight of 226.36 g/mol, XLogP of 2.20, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(aminomethyl)cyclohexyl]-2-methylpentanamide is sourced from PubChem (CID 63755495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).