4-(methylamino)-N,N-bis(3-methylbutyl)butanamide;hydrochloride

C15H33ClN2O — CID 119672594

IUPAC4-(methylamino)-N,N-bis(3-methylbutyl)butanamide;hydrochloride
SMILESCNCCCC(=O)N(CCC(C)C)CCC(C)C.Cl
InChIInChI=1S/C15H32N2O.ClH/c1-13(2)8-11-17(12-9-14(3)4)15(18)7-6-10-16-5;/h13-14,16H,6-12H2,1-5H3;1H
InChIKeyJAONQRYQUUBJLP-UHFFFAOYSA-N
MW292.90 g/mol
LogP3.33
Rot. Bonds10

About 4-(methylamino)-N,N-bis(3-methylbutyl)butanamide;hydrochloride

4-(methylamino)-N,N-bis(3-methylbutyl)butanamide;hydrochloride (PubChem CID 119672594) has the molecular formula C15H33ClN2O and a molecular weight of 292.90 g/mol. Its IUPAC name is 4-(methylamino)-N,N-bis(3-methylbutyl)butanamide;hydrochloride.

Molecular Properties

Compound Name4-(methylamino)-N,N-bis(3-methylbutyl)butanamide;hydrochloride
PubChem CID119672594
Molecular FormulaC15H33ClN2O
Molecular Weight292.90 g/mol
Exact Mass292.23
IUPAC Name4-(methylamino)-N,N-bis(3-methylbutyl)butanamide;hydrochloride
SMILESCNCCCC(=O)N(CCC(C)C)CCC(C)C.Cl
InChIInChI=1S/C15H32N2O.ClH/c1-13(2)8-11-17(12-9-14(3)4)15(18)7-6-10-16-5;/h13-14,16H,6-12H2,1-5H3;1H
InChIKeyJAONQRYQUUBJLP-UHFFFAOYSA-N
XLogP3.33
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.90
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2-cyanoethyl)-4-(methylamino)-N-(2-methylpropyl)butanamide
CID 60964117
4-(methylamino)-N-(2-methylpropyl)-N-propan-2-ylbutanamide
CID 60946124
8-methyl-1-(methylamino)nonan-4-one
CID 116555639
N,N-bis(2-aminoethyl)-13-methyltetradecanamide;dihydrochloride
CID 11188780
N,N-bis(2-hydroxyethyl)-7-methyloctanamide
CID 54230939
3-[3-methylbutanoyl(3-methylbutyl)amino]propanoic acid
CID 82324105
2-methyl-3-(methylamino)-N,N-bis(3-methylbutyl)propanamide;hydrochloride
CID 119672602
N,N-dimethyl-4-(methylamino)butanamide;ethane
CID 163270647
N-(4-ethylsulfanylbutan-2-yl)-N-methyl-4-(methylamino)butanamide;hydrochloride
CID 119817465
N-(1-ethylsulfonylpropan-2-yl)-N-methyl-4-(methylamino)butanamide;hydrochloride
CID 119786350
methyl 2-methyl-3-[methyl-[4-(methylamino)butanoyl]amino]propanoate
CID 60964013
2-(ethylamino)-N,N-bis(3-methylbutyl)acetamide
CID 60686802

Frequently Asked Questions

What is the IUPAC name of 4-(methylamino)-N,N-bis(3-methylbutyl)butanamide;hydrochloride?
The IUPAC name of 4-(methylamino)-N,N-bis(3-methylbutyl)butanamide;hydrochloride (CID 119672594) is 4-(methylamino)-N,N-bis(3-methylbutyl)butanamide;hydrochloride.
What is the SMILES notation for 4-(methylamino)-N,N-bis(3-methylbutyl)butanamide;hydrochloride?
The canonical SMILES for 4-(methylamino)-N,N-bis(3-methylbutyl)butanamide;hydrochloride is CNCCCC(=O)N(CCC(C)C)CCC(C)C.Cl.
What is the InChIKey of 4-(methylamino)-N,N-bis(3-methylbutyl)butanamide;hydrochloride?
The InChIKey is JAONQRYQUUBJLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2O.ClH/c1-13(2)8-11-17(12-9-14(3)4)15(18)7-6-10-16-5;/h13-14,16H,6-12H2,1-5H3;1H.
What are the key properties of 4-(methylamino)-N,N-bis(3-methylbutyl)butanamide;hydrochloride?
4-(methylamino)-N,N-bis(3-methylbutyl)butanamide;hydrochloride has a molecular weight of 292.90 g/mol, XLogP of 3.33, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methylamino)-N,N-bis(3-methylbutyl)butanamide;hydrochloride is sourced from PubChem (CID 119672594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).