4-amino-3-[cyclohexylmethyl(methyl)amino]-N,N-dimethylbutanamide

C14H29N3O — CID 66429827

IUPAC4-amino-3-[cyclohexylmethyl(methyl)amino]-N,N-dimethylbutanamide
SMILESCN(C)C(=O)CC(CN)N(C)CC1CCCCC1
InChIInChI=1S/C14H29N3O/c1-16(2)14(18)9-13(10-15)17(3)11-12-7-5-4-6-8-12/h12-13H,4-11,15H2,1-3H3
InChIKeyRJRSMQIZDDUOKA-UHFFFAOYSA-N
MW255.41 g/mol
LogP1.30
Rot. Bonds6

About 4-amino-3-[cyclohexylmethyl(methyl)amino]-N,N-dimethylbutanamide

4-amino-3-[cyclohexylmethyl(methyl)amino]-N,N-dimethylbutanamide (PubChem CID 66429827) has the molecular formula C14H29N3O and a molecular weight of 255.41 g/mol. Its IUPAC name is 4-amino-3-[cyclohexylmethyl(methyl)amino]-N,N-dimethylbutanamide.

Molecular Properties

Compound Name4-amino-3-[cyclohexylmethyl(methyl)amino]-N,N-dimethylbutanamide
PubChem CID66429827
Molecular FormulaC14H29N3O
Molecular Weight255.41 g/mol
Exact Mass255.23
IUPAC Name4-amino-3-[cyclohexylmethyl(methyl)amino]-N,N-dimethylbutanamide
SMILESCN(C)C(=O)CC(CN)N(C)CC1CCCCC1
InChIInChI=1S/C14H29N3O/c1-16(2)14(18)9-13(10-15)17(3)11-12-7-5-4-6-8-12/h12-13H,4-11,15H2,1-3H3
InChIKeyRJRSMQIZDDUOKA-UHFFFAOYSA-N
XLogP1.30
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.41
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-3-[cyclopropylmethyl(methyl)amino]-N,N-dimethylbutanamide
CID 66430431
4-amino-3-[cyclohexylmethyl(methyl)amino]butanamide
CID 66427542
2-N-(cyclohexylmethyl)-2-N-methylbutane-1,2-diamine
CID 61444608
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-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-N,N-dimethylbutanamide
CID 79314706
4-amino-3-[cyclopropylmethyl(methyl)amino]-N-propylbutanamide
CID 66427616
4-amino-3-[2,2-dimethylpropyl(methyl)amino]-N,N-dimethylbutanamide
CID 66432485
2-[cyclohexylmethyl(methyl)amino]-3-methylbutanehydrazide
CID 55212497
3-N-(cyclohexylmethyl)-3-N-methylpentane-1,3-diamine
CID 61444292
4-amino-3-[3-(dimethylamino)propyl-methylamino]-N,N-dimethylbutanamide
CID 66430036
N-(cycloheptylmethyl)-1-cyclopropyl-N-methylethane-1,2-diamine
CID 116651578

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-[cyclohexylmethyl(methyl)amino]-N,N-dimethylbutanamide?
The IUPAC name of 4-amino-3-[cyclohexylmethyl(methyl)amino]-N,N-dimethylbutanamide (CID 66429827) is 4-amino-3-[cyclohexylmethyl(methyl)amino]-N,N-dimethylbutanamide.
What is the SMILES notation for 4-amino-3-[cyclohexylmethyl(methyl)amino]-N,N-dimethylbutanamide?
The canonical SMILES for 4-amino-3-[cyclohexylmethyl(methyl)amino]-N,N-dimethylbutanamide is CN(C)C(=O)CC(CN)N(C)CC1CCCCC1.
What is the InChIKey of 4-amino-3-[cyclohexylmethyl(methyl)amino]-N,N-dimethylbutanamide?
The InChIKey is RJRSMQIZDDUOKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O/c1-16(2)14(18)9-13(10-15)17(3)11-12-7-5-4-6-8-12/h12-13H,4-11,15H2,1-3H3.
What are the key properties of 4-amino-3-[cyclohexylmethyl(methyl)amino]-N,N-dimethylbutanamide?
4-amino-3-[cyclohexylmethyl(methyl)amino]-N,N-dimethylbutanamide has a molecular weight of 255.41 g/mol, XLogP of 1.30, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-[cyclohexylmethyl(methyl)amino]-N,N-dimethylbutanamide is sourced from PubChem (CID 66429827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).