2-methyl-3-(methylamino)-N,N-bis(3-methylbutyl)propanamide;hydrochloride

C15H33ClN2O — CID 119672602

IUPAC2-methyl-3-(methylamino)-N,N-bis(3-methylbutyl)propanamide;hydrochloride
SMILESCNCC(C)C(=O)N(CCC(C)C)CCC(C)C.Cl
InChIInChI=1S/C15H32N2O.ClH/c1-12(2)7-9-17(10-8-13(3)4)15(18)14(5)11-16-6;/h12-14,16H,7-11H2,1-6H3;1H
InChIKeyDYNIKIMHLGNNST-UHFFFAOYSA-N
MW292.90 g/mol
LogP3.18
Rot. Bonds9

About 2-methyl-3-(methylamino)-N,N-bis(3-methylbutyl)propanamide;hydrochloride

2-methyl-3-(methylamino)-N,N-bis(3-methylbutyl)propanamide;hydrochloride (PubChem CID 119672602) has the molecular formula C15H33ClN2O and a molecular weight of 292.90 g/mol. Its IUPAC name is 2-methyl-3-(methylamino)-N,N-bis(3-methylbutyl)propanamide;hydrochloride.

Molecular Properties

Compound Name2-methyl-3-(methylamino)-N,N-bis(3-methylbutyl)propanamide;hydrochloride
PubChem CID119672602
Molecular FormulaC15H33ClN2O
Molecular Weight292.90 g/mol
Exact Mass292.23
IUPAC Name2-methyl-3-(methylamino)-N,N-bis(3-methylbutyl)propanamide;hydrochloride
SMILESCNCC(C)C(=O)N(CCC(C)C)CCC(C)C.Cl
InChIInChI=1S/C15H32N2O.ClH/c1-12(2)7-9-17(10-8-13(3)4)15(18)14(5)11-16-6;/h12-14,16H,7-11H2,1-6H3;1H
InChIKeyDYNIKIMHLGNNST-UHFFFAOYSA-N
XLogP3.18
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.90
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-N,N-bis(3-methylbutyl)propanamide
CID 60718201
(2S)-2-amino-N,N-bis(3-methylbutyl)propanamide
CID 61147605
N-[2-(dimethylamino)-2-oxoethyl]-2-methyl-3-(methylamino)-N-propylpropanamide
CID 79202204
4-(methylamino)-N,N-bis(3-methylbutyl)butanamide;hydrochloride
CID 119672594
2-methyl-3-(methylamino)-N-(5-methylhexan-2-yl)propanamide
CID 79195498
2,7-dimethyl-1-(methylamino)octan-3-one
CID 116586892
N-benzyl-N-(2,2-difluoroethyl)-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119807971
N-(2-methoxyethyl)-2-methyl-3-(methylamino)-N-prop-2-enylpropanamide
CID 103338873
N-[2-(dimethylamino)-2-oxoethyl]-N-(2-methoxyethyl)-2-methyl-3-(methylamino)propanamide
CID 79202084
N,2-dimethyl-3-(methylamino)-N-pentylpropanamide
CID 79195913
N-(cyclohexylmethyl)-2-methyl-3-(methylamino)-N-propylpropanamide
CID 119746857
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-methyl-3-(methylamino)-N-(2-methylpropyl)propanamide
CID 119790269

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(methylamino)-N,N-bis(3-methylbutyl)propanamide;hydrochloride?
The IUPAC name of 2-methyl-3-(methylamino)-N,N-bis(3-methylbutyl)propanamide;hydrochloride (CID 119672602) is 2-methyl-3-(methylamino)-N,N-bis(3-methylbutyl)propanamide;hydrochloride.
What is the SMILES notation for 2-methyl-3-(methylamino)-N,N-bis(3-methylbutyl)propanamide;hydrochloride?
The canonical SMILES for 2-methyl-3-(methylamino)-N,N-bis(3-methylbutyl)propanamide;hydrochloride is CNCC(C)C(=O)N(CCC(C)C)CCC(C)C.Cl.
What is the InChIKey of 2-methyl-3-(methylamino)-N,N-bis(3-methylbutyl)propanamide;hydrochloride?
The InChIKey is DYNIKIMHLGNNST-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2O.ClH/c1-12(2)7-9-17(10-8-13(3)4)15(18)14(5)11-16-6;/h12-14,16H,7-11H2,1-6H3;1H.
What are the key properties of 2-methyl-3-(methylamino)-N,N-bis(3-methylbutyl)propanamide;hydrochloride?
2-methyl-3-(methylamino)-N,N-bis(3-methylbutyl)propanamide;hydrochloride has a molecular weight of 292.90 g/mol, XLogP of 3.18, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(methylamino)-N,N-bis(3-methylbutyl)propanamide;hydrochloride is sourced from PubChem (CID 119672602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).