1-butyl-N-(3,3-dimethylbutan-2-yl)imidazol-2-amine

C13H25N3 — CID 106580868

IUPAC1-butyl-N-(3,3-dimethylbutan-2-yl)imidazol-2-amine
SMILESCCCCn1ccnc1NC(C)C(C)(C)C
InChIInChI=1S/C13H25N3/c1-6-7-9-16-10-8-14-12(16)15-11(2)13(3,4)5/h8,10-11H,6-7,9H2,1-5H3,(H,14,15)
InChIKeyNTPPACGNJWQEOV-UHFFFAOYSA-N
MW223.36 g/mol
LogP3.53
Rot. Bonds5

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

1-butyl-N-(3,3-dimethylbutan-2-yl)imidazol-2-amine (PubChem CID 106580868) has the molecular formula C13H25N3 and a molecular weight of 223.36 g/mol. Its IUPAC name is 1-butyl-N-(3,3-dimethylbutan-2-yl)imidazol-2-amine.

Molecular Properties

Compound Name1-butyl-N-(3,3-dimethylbutan-2-yl)imidazol-2-amine
PubChem CID106580868
Molecular FormulaC13H25N3
Molecular Weight223.36 g/mol
Exact Mass223.20
IUPAC Name1-butyl-N-(3,3-dimethylbutan-2-yl)imidazol-2-amine
SMILESCCCCn1ccnc1NC(C)C(C)(C)C
InChIInChI=1S/C13H25N3/c1-6-7-9-16-10-8-14-12(16)15-11(2)13(3,4)5/h8,10-11H,6-7,9H2,1-5H3,(H,14,15)
InChIKeyNTPPACGNJWQEOV-UHFFFAOYSA-N
XLogP3.53
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
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-methylpentan-2-yl)imidazol-2-amine
CID 106564650
N-tert-butyl-1-butylimidazol-2-amine
CID 106554804
1-butyl-N-(2-methylbutyl)imidazol-2-amine
CID 106570370
1-butyl-N-(1-cyclopropylpropan-2-yl)imidazol-2-amine
CID 106572756
1-butyl-N-[1-(2-methylphenyl)ethyl]imidazol-2-amine
CID 106567442
3-[(1-ethylimidazol-2-yl)amino]-2-methylbutan-2-ol
CID 127013523
1-(2-butoxyethyl)-N-propan-2-ylimidazol-2-amine
CID 106568327
1-dodecyl-N-methylimidazol-2-amine
CID 57016020
N-butyl-1-hexylimidazol-2-amine
CID 106573794
1-butyl-N-(4-propan-2-ylphenyl)imidazol-2-amine
CID 106557363
1-butyl-N-(2-ethoxyethyl)imidazol-2-amine
CID 106554086

Frequently Asked Questions

What is the IUPAC name of 1-butyl-N-(3,3-dimethylbutan-2-yl)imidazol-2-amine?
The IUPAC name of 1-butyl-N-(3,3-dimethylbutan-2-yl)imidazol-2-amine (CID 106580868) is 1-butyl-N-(3,3-dimethylbutan-2-yl)imidazol-2-amine.
What is the SMILES notation for 1-butyl-N-(3,3-dimethylbutan-2-yl)imidazol-2-amine?
The canonical SMILES for 1-butyl-N-(3,3-dimethylbutan-2-yl)imidazol-2-amine is CCCCn1ccnc1NC(C)C(C)(C)C.
What is the InChIKey of 1-butyl-N-(3,3-dimethylbutan-2-yl)imidazol-2-amine?
The InChIKey is NTPPACGNJWQEOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3/c1-6-7-9-16-10-8-14-12(16)15-11(2)13(3,4)5/h8,10-11H,6-7,9H2,1-5H3,(H,14,15).
What are the key properties of 1-butyl-N-(3,3-dimethylbutan-2-yl)imidazol-2-amine?
1-butyl-N-(3,3-dimethylbutan-2-yl)imidazol-2-amine has a molecular weight of 223.36 g/mol, XLogP of 3.53, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-N-(3,3-dimethylbutan-2-yl)imidazol-2-amine is sourced from PubChem (CID 106580868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).