3-amino-N-(cyclohexylmethyl)-N-methylbutanamide

C12H24N2O — CID 60963947

IUPAC3-amino-N-(cyclohexylmethyl)-N-methylbutanamide
SMILESCC(N)CC(=O)N(C)CC1CCCCC1
InChIInChI=1S/C12H24N2O/c1-10(13)8-12(15)14(2)9-11-6-4-3-5-7-11/h10-11H,3-9,13H2,1-2H3
InChIKeyCXLFCURFPIHIIK-UHFFFAOYSA-N
MW212.34 g/mol
LogP1.76
Rot. Bonds4

About 3-amino-N-(cyclohexylmethyl)-N-methylbutanamide

3-amino-N-(cyclohexylmethyl)-N-methylbutanamide (PubChem CID 60963947) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is 3-amino-N-(cyclohexylmethyl)-N-methylbutanamide.

Molecular Properties

Compound Name3-amino-N-(cyclohexylmethyl)-N-methylbutanamide
PubChem CID60963947
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC Name3-amino-N-(cyclohexylmethyl)-N-methylbutanamide
SMILESCC(N)CC(=O)N(C)CC1CCCCC1
InChIInChI=1S/C12H24N2O/c1-10(13)8-12(15)14(2)9-11-6-4-3-5-7-11/h10-11H,3-9,13H2,1-2H3
InChIKeyCXLFCURFPIHIIK-UHFFFAOYSA-N
XLogP1.76
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-[cyclohexylmethyl(methyl)amino]-3-methyl-5-oxopentanoic acid
CID 62965595
3-amino-N-(cyclohexylmethyl)-N-methyl-3-phenylpropanamide
CID 60963492
2-amino-N-(cyclopentylmethyl)-N-methylacetamide
CID 63657332
3-amino-N-[2-[cyclohexyl(methyl)amino]ethyl]-N-methylbutanamide
CID 120872786
2-amino-N-(cyclohexylmethyl)-N,3-dimethylbutanamide;hydrochloride
CID 119279206
(2S,3S)-2-amino-N-(cyclohexylmethyl)-N,3-dimethylpentanamide
CID 61162838
4-[cyclohexylmethyl(methyl)amino]-4-oxobutanoic acid
CID 60949608
cycloheptylmethyl(methyl)carbamic acid
CID 146255648
2-amino-N-(cyclopentylmethyl)-N,4-dimethylpentanamide
CID 63654905
3-amino-N-(cyclopropylmethyl)-N-ethylbutanamide
CID 63954762
(2S)-2-amino-N-(cyclohexylmethyl)-N,3,3-trimethylbutanamide;hydrochloride
CID 119704436
(2S)-2-amino-N-(cyclopentylmethyl)-N,4-dimethylpentanamide;hydrochloride
CID 119759252

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(cyclohexylmethyl)-N-methylbutanamide?
The IUPAC name of 3-amino-N-(cyclohexylmethyl)-N-methylbutanamide (CID 60963947) is 3-amino-N-(cyclohexylmethyl)-N-methylbutanamide.
What is the SMILES notation for 3-amino-N-(cyclohexylmethyl)-N-methylbutanamide?
The canonical SMILES for 3-amino-N-(cyclohexylmethyl)-N-methylbutanamide is CC(N)CC(=O)N(C)CC1CCCCC1.
What is the InChIKey of 3-amino-N-(cyclohexylmethyl)-N-methylbutanamide?
The InChIKey is CXLFCURFPIHIIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O/c1-10(13)8-12(15)14(2)9-11-6-4-3-5-7-11/h10-11H,3-9,13H2,1-2H3.
What are the key properties of 3-amino-N-(cyclohexylmethyl)-N-methylbutanamide?
3-amino-N-(cyclohexylmethyl)-N-methylbutanamide has a molecular weight of 212.34 g/mol, XLogP of 1.76, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(cyclohexylmethyl)-N-methylbutanamide is sourced from PubChem (CID 60963947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).