1-butyl-N-heptan-2-yl-4-methylimidazol-2-amine

C15H29N3 — CID 106568860

IUPAC1-butyl-N-heptan-2-yl-4-methylimidazol-2-amine
SMILESCCCCCC(C)Nc1nc(C)cn1CCCC
InChIInChI=1S/C15H29N3/c1-5-7-9-10-13(3)16-15-17-14(4)12-18(15)11-8-6-2/h12-13H,5-11H2,1-4H3,(H,16,17)
InChIKeyNPMBASBNLINBAT-UHFFFAOYSA-N
MW251.42 g/mol
LogP4.37
Rot. Bonds9

About 1-butyl-N-heptan-2-yl-4-methylimidazol-2-amine

1-butyl-N-heptan-2-yl-4-methylimidazol-2-amine (PubChem CID 106568860) has the molecular formula C15H29N3 and a molecular weight of 251.42 g/mol. Its IUPAC name is 1-butyl-N-heptan-2-yl-4-methylimidazol-2-amine.

Molecular Properties

Compound Name1-butyl-N-heptan-2-yl-4-methylimidazol-2-amine
PubChem CID106568860
Molecular FormulaC15H29N3
Molecular Weight251.42 g/mol
Exact Mass251.24
IUPAC Name1-butyl-N-heptan-2-yl-4-methylimidazol-2-amine
SMILESCCCCCC(C)Nc1nc(C)cn1CCCC
InChIInChI=1S/C15H29N3/c1-5-7-9-10-13(3)16-15-17-14(4)12-18(15)11-8-6-2/h12-13H,5-11H2,1-4H3,(H,16,17)
InChIKeyNPMBASBNLINBAT-UHFFFAOYSA-N
XLogP4.37
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.42
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-heptan-2-yl-4-methyl-1-(2-methylpropyl)imidazol-2-amine
CID 106568866
4-methyl-1-(2-methylpropyl)-N-octan-2-ylimidazol-2-amine
CID 106564935
1-butyl-4-methyl-N-[1-(5-methylthiophen-2-yl)propan-2-yl]imidazol-2-amine
CID 106575161
4-methyl-N-(1-methylsulfanylpropan-2-yl)-1-propylimidazol-2-amine
CID 106581346
4-methyl-N-(1-methylsulfonylpropan-2-yl)-1-propylimidazol-2-amine
CID 106574476
1-butyl-4-methyl-N-octylimidazol-2-amine
CID 106578853
1-hexyl-N,4-dimethylimidazol-2-amine
CID 106573791
1-butyl-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-4-methylimidazol-2-amine
CID 106565397
1-decyl-N-ethyl-4-methylimidazol-2-amine
CID 106578047
1-butyl-2,4-dimethylimidazole
CID 69009415
4-methyl-N-propan-2-yl-1-(3-propoxypropyl)imidazol-2-amine
CID 106578561
N-butyl-4-methyl-1-(3-methylbutyl)imidazol-2-amine
CID 106557291

Frequently Asked Questions

What is the IUPAC name of 1-butyl-N-heptan-2-yl-4-methylimidazol-2-amine?
The IUPAC name of 1-butyl-N-heptan-2-yl-4-methylimidazol-2-amine (CID 106568860) is 1-butyl-N-heptan-2-yl-4-methylimidazol-2-amine.
What is the SMILES notation for 1-butyl-N-heptan-2-yl-4-methylimidazol-2-amine?
The canonical SMILES for 1-butyl-N-heptan-2-yl-4-methylimidazol-2-amine is CCCCCC(C)Nc1nc(C)cn1CCCC.
What is the InChIKey of 1-butyl-N-heptan-2-yl-4-methylimidazol-2-amine?
The InChIKey is NPMBASBNLINBAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3/c1-5-7-9-10-13(3)16-15-17-14(4)12-18(15)11-8-6-2/h12-13H,5-11H2,1-4H3,(H,16,17).
What are the key properties of 1-butyl-N-heptan-2-yl-4-methylimidazol-2-amine?
1-butyl-N-heptan-2-yl-4-methylimidazol-2-amine has a molecular weight of 251.42 g/mol, XLogP of 4.37, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-N-heptan-2-yl-4-methylimidazol-2-amine is sourced from PubChem (CID 106568860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).