1-imidazol-1-yl-N-methylbutan-2-amine

C8H15N3 — CID 62039095

IUPAC1-imidazol-1-yl-N-methylbutan-2-amine
SMILESCCC(Cn1ccnc1)NC
InChIInChI=1S/C8H15N3/c1-3-8(9-2)6-11-5-4-10-7-11/h4-5,7-9H,3,6H2,1-2H3
InChIKeyJSIIKASSHVQIDZ-UHFFFAOYSA-N
MW153.23 g/mol
LogP0.88
Rot. Bonds4

About 1-imidazol-1-yl-N-methylbutan-2-amine

1-imidazol-1-yl-N-methylbutan-2-amine (PubChem CID 62039095) has the molecular formula C8H15N3 and a molecular weight of 153.23 g/mol. Its IUPAC name is 1-imidazol-1-yl-N-methylbutan-2-amine.

Molecular Properties

Compound Name1-imidazol-1-yl-N-methylbutan-2-amine
PubChem CID62039095
Molecular FormulaC8H15N3
Molecular Weight153.23 g/mol
Exact Mass153.13
IUPAC Name1-imidazol-1-yl-N-methylbutan-2-amine
SMILESCCC(Cn1ccnc1)NC
InChIInChI=1S/C8H15N3/c1-3-8(9-2)6-11-5-4-10-7-11/h4-5,7-9H,3,6H2,1-2H3
InChIKeyJSIIKASSHVQIDZ-UHFFFAOYSA-N
XLogP0.88
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.23
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-imidazol-1-yl-3-(methylamino)butan-1-ol
CID 64900351
2-bromo-N-(1-imidazol-1-ylbutan-2-yl)acetamide
CID 82110009
1-(2-methylbutyl)imidazole
CID 59161437
1-(2,3-dimethylpentyl)imidazole
CID 91321632
1-(2-ethyl-3-methylbutyl)imidazole
CID 170019524
N-[(2S)-1-imidazol-1-ylbutan-2-yl]azocane-1-carboxamide
CID 126446563
1-[2-(bromomethyl)butyl]imidazole
CID 64995115
(2S)-N-[(4,5-dimethylfuran-2-yl)methyl]-1-imidazol-1-ylbutan-2-amine
CID 164642370
N-(1-imidazol-1-ylbutan-2-yl)-5-methyl-2H-triazole-4-carboxamide
CID 131918177
1-(2-nitrobutyl)imidazole
CID 4916532
N-[(2S)-1-imidazol-1-ylbutan-2-yl]-2-(4-propanoylphenoxy)acetamide
CID 94610417
1-(2,3-dibromopropyl)imidazole
CID 71367477

Frequently Asked Questions

What is the IUPAC name of 1-imidazol-1-yl-N-methylbutan-2-amine?
The IUPAC name of 1-imidazol-1-yl-N-methylbutan-2-amine (CID 62039095) is 1-imidazol-1-yl-N-methylbutan-2-amine.
What is the SMILES notation for 1-imidazol-1-yl-N-methylbutan-2-amine?
The canonical SMILES for 1-imidazol-1-yl-N-methylbutan-2-amine is CCC(Cn1ccnc1)NC.
What is the InChIKey of 1-imidazol-1-yl-N-methylbutan-2-amine?
The InChIKey is JSIIKASSHVQIDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3/c1-3-8(9-2)6-11-5-4-10-7-11/h4-5,7-9H,3,6H2,1-2H3.
What are the key properties of 1-imidazol-1-yl-N-methylbutan-2-amine?
1-imidazol-1-yl-N-methylbutan-2-amine has a molecular weight of 153.23 g/mol, XLogP of 0.88, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-imidazol-1-yl-N-methylbutan-2-amine is sourced from PubChem (CID 62039095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).