N-[(3-cyclopropylimidazol-4-yl)methyl]-2,3-dimethylbutan-1-amine

C13H23N3 — CID 66140601

IUPACN-[(3-cyclopropylimidazol-4-yl)methyl]-2,3-dimethylbutan-1-amine
SMILESCC(C)C(C)CNCc1cncn1C1CC1
InChIInChI=1S/C13H23N3/c1-10(2)11(3)6-14-7-13-8-15-9-16(13)12-4-5-12/h8-12,14H,4-7H2,1-3H3
InChIKeyBDBMXLBXIWQGGL-UHFFFAOYSA-N
MW221.35 g/mol
LogP2.60
Rot. Bonds6

About N-[(3-cyclopropylimidazol-4-yl)methyl]-2,3-dimethylbutan-1-amine

N-[(3-cyclopropylimidazol-4-yl)methyl]-2,3-dimethylbutan-1-amine (PubChem CID 66140601) has the molecular formula C13H23N3 and a molecular weight of 221.35 g/mol. Its IUPAC name is N-[(3-cyclopropylimidazol-4-yl)methyl]-2,3-dimethylbutan-1-amine.

Molecular Properties

Compound NameN-[(3-cyclopropylimidazol-4-yl)methyl]-2,3-dimethylbutan-1-amine
PubChem CID66140601
Molecular FormulaC13H23N3
Molecular Weight221.35 g/mol
Exact Mass221.19
IUPAC NameN-[(3-cyclopropylimidazol-4-yl)methyl]-2,3-dimethylbutan-1-amine
SMILESCC(C)C(C)CNCc1cncn1C1CC1
InChIInChI=1S/C13H23N3/c1-10(2)11(3)6-14-7-13-8-15-9-16(13)12-4-5-12/h8-12,14H,4-7H2,1-3H3
InChIKeyBDBMXLBXIWQGGL-UHFFFAOYSA-N
XLogP2.60
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.35
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-cycloheptylimidazol-4-yl)methyl]-2-methylpropan-1-amine
CID 66147142
2-methyl-N-[[3-(3,3,5,5-tetramethylcyclohexyl)imidazol-4-yl]methyl]propan-1-amine
CID 103968580
N-[(3-cyclopropylimidazol-4-yl)methyl]prop-2-yn-1-amine
CID 66163065
N-[(3-cyclopropylimidazol-4-yl)methyl]-2-(1,3-thiazol-2-yl)propan-1-amine
CID 114127097
N-[2-[(3-cyclopropylimidazol-4-yl)methylamino]ethyl]-2-methylpropanamide
CID 66162278
N-[(3-cyclopropylimidazol-4-yl)methyl]-4,4-dimethylcyclohexan-1-amine
CID 66139617
N-[2-(3-cyclopropylimidazol-4-yl)ethyl]-2-methylpropan-1-amine
CID 66140393
N-[(3-cyclopropylimidazol-4-yl)methyl]-1-(3-methylcyclopentyl)methanamine
CID 107412322
N-[(3-cyclopropylimidazol-4-yl)methyl]-1-methoxy-3-methylbutan-2-amine
CID 66141611
1-[3-(4,4-dimethylcyclohexyl)imidazol-4-yl]-N-methylmethanamine
CID 66151421
(2S)-2-[(3-cyclopropylimidazol-4-yl)methylamino]propanoic acid
CID 83194284
N-[(3-cyclopropylimidazol-4-yl)methyl]-1-ethoxy-3-methylbutan-2-amine
CID 114114899

Frequently Asked Questions

What is the IUPAC name of N-[(3-cyclopropylimidazol-4-yl)methyl]-2,3-dimethylbutan-1-amine?
The IUPAC name of N-[(3-cyclopropylimidazol-4-yl)methyl]-2,3-dimethylbutan-1-amine (CID 66140601) is N-[(3-cyclopropylimidazol-4-yl)methyl]-2,3-dimethylbutan-1-amine.
What is the SMILES notation for N-[(3-cyclopropylimidazol-4-yl)methyl]-2,3-dimethylbutan-1-amine?
The canonical SMILES for N-[(3-cyclopropylimidazol-4-yl)methyl]-2,3-dimethylbutan-1-amine is CC(C)C(C)CNCc1cncn1C1CC1.
What is the InChIKey of N-[(3-cyclopropylimidazol-4-yl)methyl]-2,3-dimethylbutan-1-amine?
The InChIKey is BDBMXLBXIWQGGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3/c1-10(2)11(3)6-14-7-13-8-15-9-16(13)12-4-5-12/h8-12,14H,4-7H2,1-3H3.
What are the key properties of N-[(3-cyclopropylimidazol-4-yl)methyl]-2,3-dimethylbutan-1-amine?
N-[(3-cyclopropylimidazol-4-yl)methyl]-2,3-dimethylbutan-1-amine has a molecular weight of 221.35 g/mol, XLogP of 2.60, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-cyclopropylimidazol-4-yl)methyl]-2,3-dimethylbutan-1-amine is sourced from PubChem (CID 66140601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).