1-butyl-N-(1-cyclopropylpropan-2-yl)imidazol-2-amine

C13H23N3 — CID 106572756

IUPAC1-butyl-N-(1-cyclopropylpropan-2-yl)imidazol-2-amine
SMILESCCCCn1ccnc1NC(C)CC1CC1
InChIInChI=1S/C13H23N3/c1-3-4-8-16-9-7-14-13(16)15-11(2)10-12-5-6-12/h7,9,11-12H,3-6,8,10H2,1-2H3,(H,14,15)
InChIKeyJAEFKCGAEDYULA-UHFFFAOYSA-N
MW221.35 g/mol
LogP3.28
Rot. Bonds7

About 1-butyl-N-(1-cyclopropylpropan-2-yl)imidazol-2-amine

1-butyl-N-(1-cyclopropylpropan-2-yl)imidazol-2-amine (PubChem CID 106572756) has the molecular formula C13H23N3 and a molecular weight of 221.35 g/mol. Its IUPAC name is 1-butyl-N-(1-cyclopropylpropan-2-yl)imidazol-2-amine.

Molecular Properties

Compound Name1-butyl-N-(1-cyclopropylpropan-2-yl)imidazol-2-amine
PubChem CID106572756
Molecular FormulaC13H23N3
Molecular Weight221.35 g/mol
Exact Mass221.19
IUPAC Name1-butyl-N-(1-cyclopropylpropan-2-yl)imidazol-2-amine
SMILESCCCCn1ccnc1NC(C)CC1CC1
InChIInChI=1S/C13H23N3/c1-3-4-8-16-9-7-14-13(16)15-11(2)10-12-5-6-12/h7,9,11-12H,3-6,8,10H2,1-2H3,(H,14,15)
InChIKeyJAEFKCGAEDYULA-UHFFFAOYSA-N
XLogP3.28
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.35
LogP ≤ 53.28
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-butyl-N-(3-methylpentan-2-yl)imidazol-2-amine
CID 106564650
1-(2-butoxyethyl)-N-propan-2-ylimidazol-2-amine
CID 106568327
1-(3-ethoxypropyl)-N-octan-2-ylimidazol-2-amine
CID 106564944
N-cyclopropyl-1-pentylimidazol-2-amine
CID 106556933
1-ethyl-N-heptan-2-ylimidazol-2-amine
CID 62137318
1-butyl-N-(2-methylbutyl)imidazol-2-amine
CID 106570370
N-(1-ethoxypropan-2-yl)-1-propylimidazol-2-amine
CID 106565346
1-(3-cyclopropylpropyl)-N-(2-methylpropyl)imidazol-2-amine
CID 106582547
1-butyl-N-[1-(2-methylphenyl)ethyl]imidazol-2-amine
CID 106567442
1-butyl-N-(3,3-dimethylcyclopentyl)imidazol-2-amine
CID 106582100

Frequently Asked Questions

What is the IUPAC name of 1-butyl-N-(1-cyclopropylpropan-2-yl)imidazol-2-amine?
The IUPAC name of 1-butyl-N-(1-cyclopropylpropan-2-yl)imidazol-2-amine (CID 106572756) is 1-butyl-N-(1-cyclopropylpropan-2-yl)imidazol-2-amine.
What is the SMILES notation for 1-butyl-N-(1-cyclopropylpropan-2-yl)imidazol-2-amine?
The canonical SMILES for 1-butyl-N-(1-cyclopropylpropan-2-yl)imidazol-2-amine is CCCCn1ccnc1NC(C)CC1CC1.
What is the InChIKey of 1-butyl-N-(1-cyclopropylpropan-2-yl)imidazol-2-amine?
The InChIKey is JAEFKCGAEDYULA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3/c1-3-4-8-16-9-7-14-13(16)15-11(2)10-12-5-6-12/h7,9,11-12H,3-6,8,10H2,1-2H3,(H,14,15).
What are the key properties of 1-butyl-N-(1-cyclopropylpropan-2-yl)imidazol-2-amine?
1-butyl-N-(1-cyclopropylpropan-2-yl)imidazol-2-amine has a molecular weight of 221.35 g/mol, XLogP of 3.28, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-N-(1-cyclopropylpropan-2-yl)imidazol-2-amine is sourced from PubChem (CID 106572756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).