1-(2,2-dimethylbutyl)-N-(2-methylpropyl)imidazol-2-amine

C13H25N3 — CID 106583506

IUPAC1-(2,2-dimethylbutyl)-N-(2-methylpropyl)imidazol-2-amine
SMILESCCC(C)(C)Cn1ccnc1NCC(C)C
InChIInChI=1S/C13H25N3/c1-6-13(4,5)10-16-8-7-14-12(16)15-9-11(2)3/h7-8,11H,6,9-10H2,1-5H3,(H,14,15)
InChIKeyOIIKJNYQPXRRET-UHFFFAOYSA-N
MW223.36 g/mol
LogP3.39
Rot. Bonds6

About 1-(2,2-dimethylbutyl)-N-(2-methylpropyl)imidazol-2-amine

1-(2,2-dimethylbutyl)-N-(2-methylpropyl)imidazol-2-amine (PubChem CID 106583506) has the molecular formula C13H25N3 and a molecular weight of 223.36 g/mol. Its IUPAC name is 1-(2,2-dimethylbutyl)-N-(2-methylpropyl)imidazol-2-amine.

Molecular Properties

Compound Name1-(2,2-dimethylbutyl)-N-(2-methylpropyl)imidazol-2-amine
PubChem CID106583506
Molecular FormulaC13H25N3
Molecular Weight223.36 g/mol
Exact Mass223.20
IUPAC Name1-(2,2-dimethylbutyl)-N-(2-methylpropyl)imidazol-2-amine
SMILESCCC(C)(C)Cn1ccnc1NCC(C)C
InChIInChI=1S/C13H25N3/c1-6-13(4,5)10-16-8-7-14-12(16)15-9-11(2)3/h7-8,11H,6,9-10H2,1-5H3,(H,14,15)
InChIKeyOIIKJNYQPXRRET-UHFFFAOYSA-N
XLogP3.39
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-methylpropyl)-1-(4,4,4-trifluorobutyl)imidazol-2-amine
CID 106579152
1-(3-cyclopropylpropyl)-N-(2-methylpropyl)imidazol-2-amine
CID 106582547
1-(2-cyclohexylethyl)-N-(2-methylpropyl)imidazol-2-amine
CID 106563373
1-[2-(4-methylcyclohexyl)ethyl]-N-(2-methylpropyl)imidazol-2-amine
CID 106574335
N-(2-methylpropyl)-1-pentan-2-ylimidazol-2-amine
CID 106555846
1-[(5-chlorothiophen-2-yl)methyl]-N-(2-methylpropyl)imidazol-2-amine
CID 106575432
N-(2-methoxypropyl)-1-(2-methylpropyl)imidazol-2-amine
CID 106583435
N-(2-methylpropyl)-1-(2-pyridin-3-ylethyl)imidazol-2-amine
CID 106563117
1-[(3-bromothiophen-2-yl)methyl]-N-(2-methylpropyl)imidazol-2-amine
CID 106577763
N-(2-chloro-4,4-dimethylpentyl)-1-ethylimidazol-2-amine
CID 107156123
1-butyl-N-(2-methylbutyl)imidazol-2-amine
CID 106570370
3-[(1-ethylimidazol-2-yl)amino]-2,2-dimethylpropan-1-ol
CID 115360823

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethylbutyl)-N-(2-methylpropyl)imidazol-2-amine?
The IUPAC name of 1-(2,2-dimethylbutyl)-N-(2-methylpropyl)imidazol-2-amine (CID 106583506) is 1-(2,2-dimethylbutyl)-N-(2-methylpropyl)imidazol-2-amine.
What is the SMILES notation for 1-(2,2-dimethylbutyl)-N-(2-methylpropyl)imidazol-2-amine?
The canonical SMILES for 1-(2,2-dimethylbutyl)-N-(2-methylpropyl)imidazol-2-amine is CCC(C)(C)Cn1ccnc1NCC(C)C.
What is the InChIKey of 1-(2,2-dimethylbutyl)-N-(2-methylpropyl)imidazol-2-amine?
The InChIKey is OIIKJNYQPXRRET-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3/c1-6-13(4,5)10-16-8-7-14-12(16)15-9-11(2)3/h7-8,11H,6,9-10H2,1-5H3,(H,14,15).
What are the key properties of 1-(2,2-dimethylbutyl)-N-(2-methylpropyl)imidazol-2-amine?
1-(2,2-dimethylbutyl)-N-(2-methylpropyl)imidazol-2-amine has a molecular weight of 223.36 g/mol, XLogP of 3.39, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethylbutyl)-N-(2-methylpropyl)imidazol-2-amine is sourced from PubChem (CID 106583506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).