4-methyl-1-pentan-2-yl-N-prop-2-enylimidazol-2-amine

C12H21N3 — CID 106555821

IUPAC4-methyl-1-pentan-2-yl-N-prop-2-enylimidazol-2-amine
SMILESC=CCNc1nc(C)cn1C(C)CCC
InChIInChI=1S/C12H21N3/c1-5-7-11(4)15-9-10(3)14-12(15)13-8-6-2/h6,9,11H,2,5,7-8H2,1,3-4H3,(H,13,14)
InChIKeyGAPAETFBRJAQOL-UHFFFAOYSA-N
MW207.32 g/mol
LogP3.15
Rot. Bonds6

About 4-methyl-1-pentan-2-yl-N-prop-2-enylimidazol-2-amine

4-methyl-1-pentan-2-yl-N-prop-2-enylimidazol-2-amine (PubChem CID 106555821) has the molecular formula C12H21N3 and a molecular weight of 207.32 g/mol. Its IUPAC name is 4-methyl-1-pentan-2-yl-N-prop-2-enylimidazol-2-amine.

Molecular Properties

Compound Name4-methyl-1-pentan-2-yl-N-prop-2-enylimidazol-2-amine
PubChem CID106555821
Molecular FormulaC12H21N3
Molecular Weight207.32 g/mol
Exact Mass207.17
IUPAC Name4-methyl-1-pentan-2-yl-N-prop-2-enylimidazol-2-amine
SMILESC=CCNc1nc(C)cn1C(C)CCC
InChIInChI=1S/C12H21N3/c1-5-7-11(4)15-9-10(3)14-12(15)13-8-6-2/h6,9,11H,2,5,7-8H2,1,3-4H3,(H,13,14)
InChIKeyGAPAETFBRJAQOL-UHFFFAOYSA-N
XLogP3.15
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 ≤ 53.15
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-[1-(diethylamino)propan-2-yl]-4-methyl-N-prop-2-enylimidazol-2-amine
CID 106566325
4-methyl-1-(1-methylsulfinylpropan-2-yl)-N-prop-2-enylimidazol-2-amine
CID 106580475
1-[4-(dimethylamino)butan-2-yl]-N-ethyl-4-methylimidazol-2-amine
CID 106567736
1-[1-(4-bromophenyl)ethyl]-4-methyl-N-prop-2-enylimidazol-2-amine
CID 106566854
1-butan-2-yl-N-ethyl-4-methylimidazol-2-amine
CID 106554895
4-methyl-N-prop-2-enyl-1-[1-(1,3-thiazol-2-yl)propyl]imidazol-2-amine
CID 106574986
4-methyl-1-(4-methylpentyl)-N-prop-2-enylimidazol-2-amine
CID 106572182
4-methyl-1-(5-methylhexyl)-N-prop-2-enylimidazol-2-amine
CID 106578451
1-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-4-methyl-N-prop-2-enylimidazol-2-amine
CID 106557756
1-[4-(dimethylamino)butan-2-yl]-4-methyl-N-(2-methylpropyl)imidazol-2-amine
CID 106567753
1-hexan-2-yl-N-(2-methoxyethyl)-4-methylimidazol-2-amine
CID 106569745
4-methyl-1-(2-methylsulfanylpropyl)-N-prop-2-enylimidazol-2-amine
CID 106580957

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-pentan-2-yl-N-prop-2-enylimidazol-2-amine?
The IUPAC name of 4-methyl-1-pentan-2-yl-N-prop-2-enylimidazol-2-amine (CID 106555821) is 4-methyl-1-pentan-2-yl-N-prop-2-enylimidazol-2-amine.
What is the SMILES notation for 4-methyl-1-pentan-2-yl-N-prop-2-enylimidazol-2-amine?
The canonical SMILES for 4-methyl-1-pentan-2-yl-N-prop-2-enylimidazol-2-amine is C=CCNc1nc(C)cn1C(C)CCC.
What is the InChIKey of 4-methyl-1-pentan-2-yl-N-prop-2-enylimidazol-2-amine?
The InChIKey is GAPAETFBRJAQOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3/c1-5-7-11(4)15-9-10(3)14-12(15)13-8-6-2/h6,9,11H,2,5,7-8H2,1,3-4H3,(H,13,14).
What are the key properties of 4-methyl-1-pentan-2-yl-N-prop-2-enylimidazol-2-amine?
4-methyl-1-pentan-2-yl-N-prop-2-enylimidazol-2-amine has a molecular weight of 207.32 g/mol, XLogP of 3.15, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-pentan-2-yl-N-prop-2-enylimidazol-2-amine is sourced from PubChem (CID 106555821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).