1-butyl-N-(3-methylpentan-2-yl)imidazol-2-amine

C13H25N3 — CID 106564650

IUPAC1-butyl-N-(3-methylpentan-2-yl)imidazol-2-amine
SMILESCCCCn1ccnc1NC(C)C(C)CC
InChIInChI=1S/C13H25N3/c1-5-7-9-16-10-8-14-13(16)15-12(4)11(3)6-2/h8,10-12H,5-7,9H2,1-4H3,(H,14,15)
InChIKeyUXFIMJLYIAHILZ-UHFFFAOYSA-N
MW223.36 g/mol
LogP3.53
Rot. Bonds7

About 1-butyl-N-(3-methylpentan-2-yl)imidazol-2-amine

1-butyl-N-(3-methylpentan-2-yl)imidazol-2-amine (PubChem CID 106564650) has the molecular formula C13H25N3 and a molecular weight of 223.36 g/mol. Its IUPAC name is 1-butyl-N-(3-methylpentan-2-yl)imidazol-2-amine.

Molecular Properties

Compound Name1-butyl-N-(3-methylpentan-2-yl)imidazol-2-amine
PubChem CID106564650
Molecular FormulaC13H25N3
Molecular Weight223.36 g/mol
Exact Mass223.20
IUPAC Name1-butyl-N-(3-methylpentan-2-yl)imidazol-2-amine
SMILESCCCCn1ccnc1NC(C)C(C)CC
InChIInChI=1S/C13H25N3/c1-5-7-9-16-10-8-14-13(16)15-12(4)11(3)6-2/h8,10-12H,5-7,9H2,1-4H3,(H,14,15)
InChIKeyUXFIMJLYIAHILZ-UHFFFAOYSA-N
XLogP3.53
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-pentyl-N-propan-2-ylimidazol-2-amine
CID 106556908
1-butyl-N-(3,3-dimethylbutan-2-yl)imidazol-2-amine
CID 106580868
1-(3-ethoxypropyl)-N-(3-ethylpentan-2-yl)imidazol-2-amine
CID 106572232
1-butyl-N-(2-methylbutyl)imidazol-2-amine
CID 106570370
1-butyl-N-(1-cyclopropylpropan-2-yl)imidazol-2-amine
CID 106572756
1-(2-butoxyethyl)-N-propan-2-ylimidazol-2-amine
CID 106568327
1-butyl-N-[1-(2-methylphenyl)ethyl]imidazol-2-amine
CID 106567442
N-tert-butyl-1-butylimidazol-2-amine
CID 106554804
1-(3-methoxypropyl)-N-propan-2-ylimidazol-2-amine
CID 106554826
1-(3-ethoxypropyl)-N-octan-2-ylimidazol-2-amine
CID 106564944
1-dodecyl-N-methylimidazol-2-amine
CID 57016020
N-(1-ethoxypropan-2-yl)-1-propylimidazol-2-amine
CID 106565346

Frequently Asked Questions

What is the IUPAC name of 1-butyl-N-(3-methylpentan-2-yl)imidazol-2-amine?
The IUPAC name of 1-butyl-N-(3-methylpentan-2-yl)imidazol-2-amine (CID 106564650) is 1-butyl-N-(3-methylpentan-2-yl)imidazol-2-amine.
What is the SMILES notation for 1-butyl-N-(3-methylpentan-2-yl)imidazol-2-amine?
The canonical SMILES for 1-butyl-N-(3-methylpentan-2-yl)imidazol-2-amine is CCCCn1ccnc1NC(C)C(C)CC.
What is the InChIKey of 1-butyl-N-(3-methylpentan-2-yl)imidazol-2-amine?
The InChIKey is UXFIMJLYIAHILZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3/c1-5-7-9-16-10-8-14-13(16)15-12(4)11(3)6-2/h8,10-12H,5-7,9H2,1-4H3,(H,14,15).
What are the key properties of 1-butyl-N-(3-methylpentan-2-yl)imidazol-2-amine?
1-butyl-N-(3-methylpentan-2-yl)imidazol-2-amine has a molecular weight of 223.36 g/mol, XLogP of 3.53, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-N-(3-methylpentan-2-yl)imidazol-2-amine is sourced from PubChem (CID 106564650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).