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

C12H24N2O — CID 63756005

IUPACN-[1-(aminomethyl)cyclohexyl]-2-methylbutanamide
SMILESCCC(C)C(=O)NC1(CN)CCCCC1
InChIInChI=1S/C12H24N2O/c1-3-10(2)11(15)14-12(9-13)7-5-4-6-8-12/h10H,3-9,13H2,1-2H3,(H,14,15)
InChIKeyWIDBZOVNGKVDEH-UHFFFAOYSA-N
MW212.34 g/mol
LogP1.81
Rot. Bonds4

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

N-[1-(aminomethyl)cyclohexyl]-2-methylbutanamide (PubChem CID 63756005) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is N-[1-(aminomethyl)cyclohexyl]-2-methylbutanamide.

Molecular Properties

Compound NameN-[1-(aminomethyl)cyclohexyl]-2-methylbutanamide
PubChem CID63756005
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC NameN-[1-(aminomethyl)cyclohexyl]-2-methylbutanamide
SMILESCCC(C)C(=O)NC1(CN)CCCCC1
InChIInChI=1S/C12H24N2O/c1-3-10(2)11(15)14-12(9-13)7-5-4-6-8-12/h10H,3-9,13H2,1-2H3,(H,14,15)
InChIKeyWIDBZOVNGKVDEH-UHFFFAOYSA-N
XLogP1.81
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(aminomethyl)cyclohexyl]-2-methylpentanamide
CID 63755495
N-[1-(aminomethyl)cyclohexyl]-2-phenylbutanamide
CID 63754584
methyl N-[1-(aminomethyl)cyclohexyl]carbamate
CID 63765596
N-[1-(aminomethyl)cyclopentyl]-2-(carbamoylamino)hexanamide;hydrochloride
CID 119565556
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)cyclopentyl]-3-methylhexanamide
CID 119566665
N-[1-(aminomethyl)cyclopentyl]-4-(2-fluorophenyl)-2-methylbutanamide;hydrochloride
CID 119565655
N-[1-(aminomethyl)cyclohexyl]-2-methoxy-2-methylbutanamide
CID 114106377
N-[1-(aminomethyl)cyclopentyl]-2-propan-2-yloxyacetamide
CID 112701354
3-[1-(aminomethyl)cyclopentyl]-1,1-dimethylurea
CID 79154067
2-[1-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]cyclohexyl]acetic acid
CID 64685103

Frequently Asked Questions

What is the IUPAC name of N-[1-(aminomethyl)cyclohexyl]-2-methylbutanamide?
The IUPAC name of N-[1-(aminomethyl)cyclohexyl]-2-methylbutanamide (CID 63756005) is N-[1-(aminomethyl)cyclohexyl]-2-methylbutanamide.
What is the SMILES notation for N-[1-(aminomethyl)cyclohexyl]-2-methylbutanamide?
The canonical SMILES for N-[1-(aminomethyl)cyclohexyl]-2-methylbutanamide is CCC(C)C(=O)NC1(CN)CCCCC1.
What is the InChIKey of N-[1-(aminomethyl)cyclohexyl]-2-methylbutanamide?
The InChIKey is WIDBZOVNGKVDEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O/c1-3-10(2)11(15)14-12(9-13)7-5-4-6-8-12/h10H,3-9,13H2,1-2H3,(H,14,15).
What are the key properties of N-[1-(aminomethyl)cyclohexyl]-2-methylbutanamide?
N-[1-(aminomethyl)cyclohexyl]-2-methylbutanamide has a molecular weight of 212.34 g/mol, XLogP of 1.81, 4 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-methylbutanamide is sourced from PubChem (CID 63756005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).