1-(2,3-dimethylbutyl)-N-prop-2-enylimidazol-2-amine

C12H21N3 — CID 106575242

IUPAC1-(2,3-dimethylbutyl)-N-prop-2-enylimidazol-2-amine
SMILESC=CCNc1nccn1CC(C)C(C)C
InChIInChI=1S/C12H21N3/c1-5-6-13-12-14-7-8-15(12)9-11(4)10(2)3/h5,7-8,10-11H,1,6,9H2,2-4H3,(H,13,14)
InChIKeyGRQLILJAOIKMJN-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.77
Rot. Bonds6

About 1-(2,3-dimethylbutyl)-N-prop-2-enylimidazol-2-amine

1-(2,3-dimethylbutyl)-N-prop-2-enylimidazol-2-amine (PubChem CID 106575242) has the molecular formula C12H21N3 and a molecular weight of 207.32 g/mol. Its IUPAC name is 1-(2,3-dimethylbutyl)-N-prop-2-enylimidazol-2-amine.

Molecular Properties

Compound Name1-(2,3-dimethylbutyl)-N-prop-2-enylimidazol-2-amine
PubChem CID106575242
Molecular FormulaC12H21N3
Molecular Weight207.32 g/mol
Exact Mass207.17
IUPAC Name1-(2,3-dimethylbutyl)-N-prop-2-enylimidazol-2-amine
SMILESC=CCNc1nccn1CC(C)C(C)C
InChIInChI=1S/C12H21N3/c1-5-6-13-12-14-7-8-15(12)9-11(4)10(2)3/h5,7-8,10-11H,1,6,9H2,2-4H3,(H,13,14)
InChIKeyGRQLILJAOIKMJN-UHFFFAOYSA-N
XLogP2.77
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(2-methoxy-2-methylpropyl)-N-prop-2-enylimidazol-2-amine
CID 106581296
1-(3-methylsulfanylpropyl)-N-prop-2-enylimidazol-2-amine
CID 106573669
1-(2-ethoxy-2-methylpropyl)-N-prop-2-enylimidazol-2-amine
CID 106583268
N-(2-methylbutyl)-1-prop-2-enylimidazol-2-amine
CID 106570341
1-[2-(2-methoxyethoxy)ethyl]-N-prop-2-enylimidazol-2-amine
CID 106564442
1-[(1-methylpyrrolidin-3-yl)methyl]-N-prop-2-enylimidazol-2-amine
CID 106563055
1-[2-(1-methylpiperidin-4-yl)ethyl]-N-prop-2-enylimidazol-2-amine
CID 106581944
1-(4-methylhexan-2-yl)-N-prop-2-enylimidazol-2-amine
CID 106574006
N-(2-methylpentan-3-yl)-1-prop-2-enylimidazol-2-amine
CID 106564882
1-[1-(2,5-dimethylthiophen-3-yl)ethyl]-N-prop-2-enylimidazol-2-amine
CID 106565426
1-(1-cyclohexylethyl)-N-prop-2-enylimidazol-2-amine
CID 106571277
N-(2-methoxypropyl)-1-(2-methylpropyl)imidazol-2-amine
CID 106583435

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dimethylbutyl)-N-prop-2-enylimidazol-2-amine?
The IUPAC name of 1-(2,3-dimethylbutyl)-N-prop-2-enylimidazol-2-amine (CID 106575242) is 1-(2,3-dimethylbutyl)-N-prop-2-enylimidazol-2-amine.
What is the SMILES notation for 1-(2,3-dimethylbutyl)-N-prop-2-enylimidazol-2-amine?
The canonical SMILES for 1-(2,3-dimethylbutyl)-N-prop-2-enylimidazol-2-amine is C=CCNc1nccn1CC(C)C(C)C.
What is the InChIKey of 1-(2,3-dimethylbutyl)-N-prop-2-enylimidazol-2-amine?
The InChIKey is GRQLILJAOIKMJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3/c1-5-6-13-12-14-7-8-15(12)9-11(4)10(2)3/h5,7-8,10-11H,1,6,9H2,2-4H3,(H,13,14).
What are the key properties of 1-(2,3-dimethylbutyl)-N-prop-2-enylimidazol-2-amine?
1-(2,3-dimethylbutyl)-N-prop-2-enylimidazol-2-amine has a molecular weight of 207.32 g/mol, XLogP of 2.77, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dimethylbutyl)-N-prop-2-enylimidazol-2-amine is sourced from PubChem (CID 106575242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).