1-imidazol-1-yl-3,3-dimethyl-N-(3-methylpentan-2-yl)butan-2-amine

C15H29N3 — CID 43749439

IUPAC1-imidazol-1-yl-3,3-dimethyl-N-(3-methylpentan-2-yl)butan-2-amine
SMILESCCC(C)C(C)NC(Cn1ccnc1)C(C)(C)C
InChIInChI=1S/C15H29N3/c1-7-12(2)13(3)17-14(15(4,5)6)10-18-9-8-16-11-18/h8-9,11-14,17H,7,10H2,1-6H3
InChIKeyMGANJSFKOBAFMD-UHFFFAOYSA-N
MW251.42 g/mol
LogP3.32
Rot. Bonds6

About 1-imidazol-1-yl-3,3-dimethyl-N-(3-methylpentan-2-yl)butan-2-amine

1-imidazol-1-yl-3,3-dimethyl-N-(3-methylpentan-2-yl)butan-2-amine (PubChem CID 43749439) has the molecular formula C15H29N3 and a molecular weight of 251.42 g/mol. Its IUPAC name is 1-imidazol-1-yl-3,3-dimethyl-N-(3-methylpentan-2-yl)butan-2-amine.

Molecular Properties

Compound Name1-imidazol-1-yl-3,3-dimethyl-N-(3-methylpentan-2-yl)butan-2-amine
PubChem CID43749439
Molecular FormulaC15H29N3
Molecular Weight251.42 g/mol
Exact Mass251.24
IUPAC Name1-imidazol-1-yl-3,3-dimethyl-N-(3-methylpentan-2-yl)butan-2-amine
SMILESCCC(C)C(C)NC(Cn1ccnc1)C(C)(C)C
InChIInChI=1S/C15H29N3/c1-7-12(2)13(3)17-14(15(4,5)6)10-18-9-8-16-11-18/h8-9,11-14,17H,7,10H2,1-6H3
InChIKeyMGANJSFKOBAFMD-UHFFFAOYSA-N
XLogP3.32
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.42
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)amino]-2-methylbutan-2-ol
CID 65337512
methyl 2-[(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)amino]propanoate
CID 66173138
N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)-5-methylhexan-2-amine
CID 43749519
1-imidazol-1-yl-3,3-dimethyl-N-propylbutan-2-amine
CID 43749580
(2S,3S)-2-amino-N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)-3-methylpentanamide
CID 61155448
1-(2,3-dimethylpentyl)imidazole
CID 91321632
1-(2-methylbutyl)imidazole
CID 59161437
1-imidazol-1-yl-N-[1-(4-iodophenyl)ethyl]-3,3-dimethylbutan-2-amine
CID 43791898
N'-tert-butyl-N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)ethane-1,2-diamine
CID 107445275
N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)-3-methylcyclobutan-1-amine
CID 104859696
N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)-4-propylcyclohexan-1-amine
CID 43749450
1-(2-ethyl-3-methylbutyl)imidazole
CID 170019524

Frequently Asked Questions

What is the IUPAC name of 1-imidazol-1-yl-3,3-dimethyl-N-(3-methylpentan-2-yl)butan-2-amine?
The IUPAC name of 1-imidazol-1-yl-3,3-dimethyl-N-(3-methylpentan-2-yl)butan-2-amine (CID 43749439) is 1-imidazol-1-yl-3,3-dimethyl-N-(3-methylpentan-2-yl)butan-2-amine.
What is the SMILES notation for 1-imidazol-1-yl-3,3-dimethyl-N-(3-methylpentan-2-yl)butan-2-amine?
The canonical SMILES for 1-imidazol-1-yl-3,3-dimethyl-N-(3-methylpentan-2-yl)butan-2-amine is CCC(C)C(C)NC(Cn1ccnc1)C(C)(C)C.
What is the InChIKey of 1-imidazol-1-yl-3,3-dimethyl-N-(3-methylpentan-2-yl)butan-2-amine?
The InChIKey is MGANJSFKOBAFMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3/c1-7-12(2)13(3)17-14(15(4,5)6)10-18-9-8-16-11-18/h8-9,11-14,17H,7,10H2,1-6H3.
What are the key properties of 1-imidazol-1-yl-3,3-dimethyl-N-(3-methylpentan-2-yl)butan-2-amine?
1-imidazol-1-yl-3,3-dimethyl-N-(3-methylpentan-2-yl)butan-2-amine has a molecular weight of 251.42 g/mol, XLogP of 3.32, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-imidazol-1-yl-3,3-dimethyl-N-(3-methylpentan-2-yl)butan-2-amine is sourced from PubChem (CID 43749439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).