N-[4-(dimethylamino)-3,3-dimethylbutan-2-yl]-2-methyl-3-(methylamino)propanamide;dihydrochloride

C13H31Cl2N3O — CID 119893975

IUPACN-[4-(dimethylamino)-3,3-dimethylbutan-2-yl]-2-methyl-3-(methylamino)propanamide;dihydrochloride
SMILESCNCC(C)C(=O)NC(C)C(C)(C)CN(C)C.Cl.Cl
InChIInChI=1S/C13H29N3O.2ClH/c1-10(8-14-5)12(17)15-11(2)13(3,4)9-16(6)7;;/h10-11,14H,8-9H2,1-7H3,(H,15,17);2*1H
InChIKeyBQTJMSALFWFYIS-UHFFFAOYSA-N
MW316.32 g/mol
LogP1.78
Rot. Bonds7

About N-[4-(dimethylamino)-3,3-dimethylbutan-2-yl]-2-methyl-3-(methylamino)propanamide;dihydrochloride

N-[4-(dimethylamino)-3,3-dimethylbutan-2-yl]-2-methyl-3-(methylamino)propanamide;dihydrochloride (PubChem CID 119893975) has the molecular formula C13H31Cl2N3O and a molecular weight of 316.32 g/mol. Its IUPAC name is N-[4-(dimethylamino)-3,3-dimethylbutan-2-yl]-2-methyl-3-(methylamino)propanamide;dihydrochloride.

Molecular Properties

Compound NameN-[4-(dimethylamino)-3,3-dimethylbutan-2-yl]-2-methyl-3-(methylamino)propanamide;dihydrochloride
PubChem CID119893975
Molecular FormulaC13H31Cl2N3O
Molecular Weight316.32 g/mol
Exact Mass315.18
IUPAC NameN-[4-(dimethylamino)-3,3-dimethylbutan-2-yl]-2-methyl-3-(methylamino)propanamide;dihydrochloride
SMILESCNCC(C)C(=O)NC(C)C(C)(C)CN(C)C.Cl.Cl
InChIInChI=1S/C13H29N3O.2ClH/c1-10(8-14-5)12(17)15-11(2)13(3,4)9-16(6)7;;/h10-11,14H,8-9H2,1-7H3,(H,15,17);2*1H
InChIKeyBQTJMSALFWFYIS-UHFFFAOYSA-N
XLogP1.78
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.32
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(dimethylamino)-4,4-dimethylpentan-3-yl]-2-methyl-3-(methylamino)propanamide
CID 119888442
2-methyl-3-(methylamino)-N-propan-2-ylpropanamide
CID 79196226
N-(4-methoxy-4-methylpentan-2-yl)-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119803241
N-[4-(dimethylamino)-3,3-dimethylbutan-2-yl]pyrrolidine-3-carboxamide;dihydrochloride
CID 119894001
1-[4-(dimethylamino)-3,3-dimethylbutan-2-yl]-3-(3-hydroxy-2,2,4-trimethylpentyl)urea
CID 109390118
2-methyl-3-(methylamino)-N-(5-methylhexan-2-yl)propanamide
CID 79195498
(2S)-N-[4-(dimethylamino)-3,3-dimethylbutan-2-yl]pyrrolidine-2-carboxamide
CID 122081656
(2S,5R)-5-(aminomethyl)-N-[4-(dimethylamino)-3,3-dimethylbutan-2-yl]oxolane-2-carboxamide;dihydrochloride
CID 120801089
N-[1-(diethylamino)propan-2-yl]-2-methyl-3-(methylamino)propanamide
CID 79202231
N-(2-cyclopropylpropan-2-yl)-2-methyl-3-(methylamino)propanamide
CID 103809622
(2S)-3-methyl-2-[[2-methyl-3-(methylamino)propanoyl]amino]butanoic acid
CID 79202638
N-(3-hydroxy-2,3-dimethylbutan-2-yl)-2-methyl-3-(methylamino)propanamide
CID 106188163

Frequently Asked Questions

What is the IUPAC name of N-[4-(dimethylamino)-3,3-dimethylbutan-2-yl]-2-methyl-3-(methylamino)propanamide;dihydrochloride?
The IUPAC name of N-[4-(dimethylamino)-3,3-dimethylbutan-2-yl]-2-methyl-3-(methylamino)propanamide;dihydrochloride (CID 119893975) is N-[4-(dimethylamino)-3,3-dimethylbutan-2-yl]-2-methyl-3-(methylamino)propanamide;dihydrochloride.
What is the SMILES notation for N-[4-(dimethylamino)-3,3-dimethylbutan-2-yl]-2-methyl-3-(methylamino)propanamide;dihydrochloride?
The canonical SMILES for N-[4-(dimethylamino)-3,3-dimethylbutan-2-yl]-2-methyl-3-(methylamino)propanamide;dihydrochloride is CNCC(C)C(=O)NC(C)C(C)(C)CN(C)C.Cl.Cl.
What is the InChIKey of N-[4-(dimethylamino)-3,3-dimethylbutan-2-yl]-2-methyl-3-(methylamino)propanamide;dihydrochloride?
The InChIKey is BQTJMSALFWFYIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29N3O.2ClH/c1-10(8-14-5)12(17)15-11(2)13(3,4)9-16(6)7;;/h10-11,14H,8-9H2,1-7H3,(H,15,17);2*1H.
What are the key properties of N-[4-(dimethylamino)-3,3-dimethylbutan-2-yl]-2-methyl-3-(methylamino)propanamide;dihydrochloride?
N-[4-(dimethylamino)-3,3-dimethylbutan-2-yl]-2-methyl-3-(methylamino)propanamide;dihydrochloride has a molecular weight of 316.32 g/mol, XLogP of 1.78, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(dimethylamino)-3,3-dimethylbutan-2-yl]-2-methyl-3-(methylamino)propanamide;dihydrochloride is sourced from PubChem (CID 119893975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).