N-[2-(aminomethyl)cyclohexyl]-2-methylbutanamide;hydrochloride

C12H25ClN2O — CID 119609146

IUPACN-[2-(aminomethyl)cyclohexyl]-2-methylbutanamide;hydrochloride
SMILESCCC(C)C(=O)NC1CCCCC1CN.Cl
InChIInChI=1S/C12H24N2O.ClH/c1-3-9(2)12(15)14-11-7-5-4-6-10(11)8-13;/h9-11H,3-8,13H2,1-2H3,(H,14,15);1H
InChIKeyVBNCTPYFULQPBB-UHFFFAOYSA-N
MW248.80 g/mol
LogP2.09
Rot. Bonds4

About N-[2-(aminomethyl)cyclohexyl]-2-methylbutanamide;hydrochloride

N-[2-(aminomethyl)cyclohexyl]-2-methylbutanamide;hydrochloride (PubChem CID 119609146) has the molecular formula C12H25ClN2O and a molecular weight of 248.80 g/mol. Its IUPAC name is N-[2-(aminomethyl)cyclohexyl]-2-methylbutanamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(aminomethyl)cyclohexyl]-2-methylbutanamide;hydrochloride
PubChem CID119609146
Molecular FormulaC12H25ClN2O
Molecular Weight248.80 g/mol
Exact Mass248.17
IUPAC NameN-[2-(aminomethyl)cyclohexyl]-2-methylbutanamide;hydrochloride
SMILESCCC(C)C(=O)NC1CCCCC1CN.Cl
InChIInChI=1S/C12H24N2O.ClH/c1-3-9(2)12(15)14-11-7-5-4-6-10(11)8-13;/h9-11H,3-8,13H2,1-2H3,(H,14,15);1H
InChIKeyVBNCTPYFULQPBB-UHFFFAOYSA-N
XLogP2.09
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.80
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(aminomethyl)cyclopentyl]-3-cyclohexyl-2-methylpropanamide;hydrochloride
CID 119603444
N-[(1R,2R)-2-aminocyclohexyl]-2-methylbutanamide
CID 103805727
2-amino-N-[2-(aminomethyl)cyclopentyl]propanamide
CID 130609723
N-[2-(aminomethyl)cyclopentyl]-2,3,3-trimethylbutanamide
CID 119601992
N-[(1S,2S)-2-hydroxycyclohexyl]-2-methylbutanamide
CID 104957388
N-[2-(aminomethyl)cyclopentyl]-2-cyclohexyloxybutanamide
CID 119603538
N-[2-(aminomethyl)cyclohexyl]-3,3,3-trifluoro-2-(trifluoromethyl)propanamide
CID 103310394
N-[2-(aminomethyl)cyclohexyl]-2-methyl-3-(1,3,5-trimethylpyrazol-4-yl)propanamide;dihydrochloride
CID 119612567
[(1R,2S)-2-(aminomethyl)cyclohexyl]carbamic acid
CID 124566827
[(1S,2R)-2-(aminomethyl)cyclohexyl]carbamic acid
CID 124566826
N-[2-(N'-hydroxycarbamimidoyl)cyclopentyl]-2-methylbutanamide
CID 76978522
N-cyclopentyl-2-methylbutanamide;methane
CID 159941857

Frequently Asked Questions

What is the IUPAC name of N-[2-(aminomethyl)cyclohexyl]-2-methylbutanamide;hydrochloride?
The IUPAC name of N-[2-(aminomethyl)cyclohexyl]-2-methylbutanamide;hydrochloride (CID 119609146) is N-[2-(aminomethyl)cyclohexyl]-2-methylbutanamide;hydrochloride.
What is the SMILES notation for N-[2-(aminomethyl)cyclohexyl]-2-methylbutanamide;hydrochloride?
The canonical SMILES for N-[2-(aminomethyl)cyclohexyl]-2-methylbutanamide;hydrochloride is CCC(C)C(=O)NC1CCCCC1CN.Cl.
What is the InChIKey of N-[2-(aminomethyl)cyclohexyl]-2-methylbutanamide;hydrochloride?
The InChIKey is VBNCTPYFULQPBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O.ClH/c1-3-9(2)12(15)14-11-7-5-4-6-10(11)8-13;/h9-11H,3-8,13H2,1-2H3,(H,14,15);1H.
What are the key properties of N-[2-(aminomethyl)cyclohexyl]-2-methylbutanamide;hydrochloride?
N-[2-(aminomethyl)cyclohexyl]-2-methylbutanamide;hydrochloride has a molecular weight of 248.80 g/mol, XLogP of 2.09, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(aminomethyl)cyclohexyl]-2-methylbutanamide;hydrochloride is sourced from PubChem (CID 119609146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).