4-amino-3-[cyclohexylmethyl(methyl)amino]butanamide

C12H25N3O — CID 66427542

IUPAC4-amino-3-[cyclohexylmethyl(methyl)amino]butanamide
SMILESCN(CC1CCCCC1)C(CN)CC(N)=O
InChIInChI=1S/C12H25N3O/c1-15(11(8-13)7-12(14)16)9-10-5-3-2-4-6-10/h10-11H,2-9,13H2,1H3,(H2,14,16)
InChIKeySNFMKPJWWFLTBQ-UHFFFAOYSA-N
MW227.35 g/mol
LogP0.70
Rot. Bonds6

About 4-amino-3-[cyclohexylmethyl(methyl)amino]butanamide

4-amino-3-[cyclohexylmethyl(methyl)amino]butanamide (PubChem CID 66427542) has the molecular formula C12H25N3O and a molecular weight of 227.35 g/mol. Its IUPAC name is 4-amino-3-[cyclohexylmethyl(methyl)amino]butanamide.

Molecular Properties

Compound Name4-amino-3-[cyclohexylmethyl(methyl)amino]butanamide
PubChem CID66427542
Molecular FormulaC12H25N3O
Molecular Weight227.35 g/mol
Exact Mass227.20
IUPAC Name4-amino-3-[cyclohexylmethyl(methyl)amino]butanamide
SMILESCN(CC1CCCCC1)C(CN)CC(N)=O
InChIInChI=1S/C12H25N3O/c1-15(11(8-13)7-12(14)16)9-10-5-3-2-4-6-10/h10-11H,2-9,13H2,1H3,(H2,14,16)
InChIKeySNFMKPJWWFLTBQ-UHFFFAOYSA-N
XLogP0.70
TPSA72.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-3-[cyclohexylmethyl(methyl)amino]-N,N-dimethylbutanamide
CID 66429827
2-N-(cyclohexylmethyl)-2-N-methylbutane-1,2-diamine
CID 61444608
4-amino-3-[cyclopropylmethyl(methyl)amino]-N,N-dimethylbutanamide
CID 66430431
2-N-(cyclopentylmethyl)-2-N-methylbutane-1,2-diamine
CID 63632440
2-N-(cyclohexylmethyl)-2-N,4,4-trimethylpentane-1,2-diamine
CID 62950046
4-amino-3-[cyclopropylmethyl(methyl)amino]-N-propylbutanamide
CID 66427616
2-[cyclohexylmethyl(methyl)amino]-3-methylbutanehydrazide
CID 55212497
4-amino-3-(dimethylamino)butanamide
CID 66427747
2-[cyclopentylmethyl(methyl)amino]butanamide
CID 62923981
3-N-(cyclohexylmethyl)-3-N-methylpentane-1,3-diamine
CID 61444292
N-(cyclohexylmethyl)-1-cyclopropyl-N-methylethane-1,2-diamine
CID 61444896
4-amino-3-[2,2-dimethylpropyl(methyl)amino]butanamide
CID 66429453

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-[cyclohexylmethyl(methyl)amino]butanamide?
The IUPAC name of 4-amino-3-[cyclohexylmethyl(methyl)amino]butanamide (CID 66427542) is 4-amino-3-[cyclohexylmethyl(methyl)amino]butanamide.
What is the SMILES notation for 4-amino-3-[cyclohexylmethyl(methyl)amino]butanamide?
The canonical SMILES for 4-amino-3-[cyclohexylmethyl(methyl)amino]butanamide is CN(CC1CCCCC1)C(CN)CC(N)=O.
What is the InChIKey of 4-amino-3-[cyclohexylmethyl(methyl)amino]butanamide?
The InChIKey is SNFMKPJWWFLTBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O/c1-15(11(8-13)7-12(14)16)9-10-5-3-2-4-6-10/h10-11H,2-9,13H2,1H3,(H2,14,16).
What are the key properties of 4-amino-3-[cyclohexylmethyl(methyl)amino]butanamide?
4-amino-3-[cyclohexylmethyl(methyl)amino]butanamide has a molecular weight of 227.35 g/mol, XLogP of 0.70, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-[cyclohexylmethyl(methyl)amino]butanamide is sourced from PubChem (CID 66427542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).