N-pent-4-en-2-yl-4,5-dihydro-1H-imidazol-2-amine

C8H15N3 — CID 114400409

IUPACN-pent-4-en-2-yl-4,5-dihydro-1H-imidazol-2-amine
SMILESC=CCC(C)NC1=NCCN1
InChIInChI=1S/C8H15N3/c1-3-4-7(2)11-8-9-5-6-10-8/h3,7H,1,4-6H2,2H3,(H2,9,10,11)
InChIKeyVIVIIYIQIVAZAJ-UHFFFAOYSA-N
MW153.23 g/mol
LogP0.50
Rot. Bonds3

About N-pent-4-en-2-yl-4,5-dihydro-1H-imidazol-2-amine

N-pent-4-en-2-yl-4,5-dihydro-1H-imidazol-2-amine (PubChem CID 114400409) has the molecular formula C8H15N3 and a molecular weight of 153.23 g/mol. Its IUPAC name is N-pent-4-en-2-yl-4,5-dihydro-1H-imidazol-2-amine.

Molecular Properties

Compound NameN-pent-4-en-2-yl-4,5-dihydro-1H-imidazol-2-amine
PubChem CID114400409
Molecular FormulaC8H15N3
Molecular Weight153.23 g/mol
Exact Mass153.13
IUPAC NameN-pent-4-en-2-yl-4,5-dihydro-1H-imidazol-2-amine
SMILESC=CCC(C)NC1=NCCN1
InChIInChI=1S/C8H15N3/c1-3-4-7(2)11-8-9-5-6-10-8/h3,7H,1,4-6H2,2H3,(H2,9,10,11)
InChIKeyVIVIIYIQIVAZAJ-UHFFFAOYSA-N
XLogP0.50
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.23
LogP ≤ 50.50
H-Bond Donors ≤ 52
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 N-pent-4-en-2-yl-4,5-dihydro-1H-imidazol-2-amine?
The IUPAC name of N-pent-4-en-2-yl-4,5-dihydro-1H-imidazol-2-amine (CID 114400409) is N-pent-4-en-2-yl-4,5-dihydro-1H-imidazol-2-amine.
What is the SMILES notation for N-pent-4-en-2-yl-4,5-dihydro-1H-imidazol-2-amine?
The canonical SMILES for N-pent-4-en-2-yl-4,5-dihydro-1H-imidazol-2-amine is C=CCC(C)NC1=NCCN1.
What is the InChIKey of N-pent-4-en-2-yl-4,5-dihydro-1H-imidazol-2-amine?
The InChIKey is VIVIIYIQIVAZAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3/c1-3-4-7(2)11-8-9-5-6-10-8/h3,7H,1,4-6H2,2H3,(H2,9,10,11).
What are the key properties of N-pent-4-en-2-yl-4,5-dihydro-1H-imidazol-2-amine?
N-pent-4-en-2-yl-4,5-dihydro-1H-imidazol-2-amine has a molecular weight of 153.23 g/mol, XLogP of 0.50, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-pent-4-en-2-yl-4,5-dihydro-1H-imidazol-2-amine is sourced from PubChem (CID 114400409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).