5-pentan-3-yl-1-prop-2-enyl-4,5-dihydroimidazol-2-amine

C11H21N3 — CID 79496741

IUPAC5-pentan-3-yl-1-prop-2-enyl-4,5-dihydroimidazol-2-amine
SMILESC=CCN1C(N)=NCC1C(CC)CC
InChIInChI=1S/C11H21N3/c1-4-7-14-10(8-13-11(14)12)9(5-2)6-3/h4,9-10H,1,5-8H2,2-3H3,(H2,12,13)
InChIKeyGAHPOXVNONOLBF-UHFFFAOYSA-N
MW195.31 g/mol
LogP1.61
Rot. Bonds5

About 5-pentan-3-yl-1-prop-2-enyl-4,5-dihydroimidazol-2-amine

5-pentan-3-yl-1-prop-2-enyl-4,5-dihydroimidazol-2-amine (PubChem CID 79496741) has the molecular formula C11H21N3 and a molecular weight of 195.31 g/mol. Its IUPAC name is 5-pentan-3-yl-1-prop-2-enyl-4,5-dihydroimidazol-2-amine.

Molecular Properties

Compound Name5-pentan-3-yl-1-prop-2-enyl-4,5-dihydroimidazol-2-amine
PubChem CID79496741
Molecular FormulaC11H21N3
Molecular Weight195.31 g/mol
Exact Mass195.17
IUPAC Name5-pentan-3-yl-1-prop-2-enyl-4,5-dihydroimidazol-2-amine
SMILESC=CCN1C(N)=NCC1C(CC)CC
InChIInChI=1S/C11H21N3/c1-4-7-14-10(8-13-11(14)12)9(5-2)6-3/h4,9-10H,1,5-8H2,2-3H3,(H2,12,13)
InChIKeyGAHPOXVNONOLBF-UHFFFAOYSA-N
XLogP1.61
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-pentan-3-yl-1-prop-2-enyl-4,5-dihydroimidazol-2-amine?
The IUPAC name of 5-pentan-3-yl-1-prop-2-enyl-4,5-dihydroimidazol-2-amine (CID 79496741) is 5-pentan-3-yl-1-prop-2-enyl-4,5-dihydroimidazol-2-amine.
What is the SMILES notation for 5-pentan-3-yl-1-prop-2-enyl-4,5-dihydroimidazol-2-amine?
The canonical SMILES for 5-pentan-3-yl-1-prop-2-enyl-4,5-dihydroimidazol-2-amine is C=CCN1C(N)=NCC1C(CC)CC.
What is the InChIKey of 5-pentan-3-yl-1-prop-2-enyl-4,5-dihydroimidazol-2-amine?
The InChIKey is GAHPOXVNONOLBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3/c1-4-7-14-10(8-13-11(14)12)9(5-2)6-3/h4,9-10H,1,5-8H2,2-3H3,(H2,12,13).
What are the key properties of 5-pentan-3-yl-1-prop-2-enyl-4,5-dihydroimidazol-2-amine?
5-pentan-3-yl-1-prop-2-enyl-4,5-dihydroimidazol-2-amine has a molecular weight of 195.31 g/mol, XLogP of 1.61, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-pentan-3-yl-1-prop-2-enyl-4,5-dihydroimidazol-2-amine is sourced from PubChem (CID 79496741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).