3-(4,5-dihydro-1H-imidazol-2-yl)non-4-en-1-amine

C12H23N3 — CID 70518344

IUPAC3-(4,5-dihydro-1H-imidazol-2-yl)non-4-en-1-amine
SMILESCCCCC=CC(CCN)C1=NCCN1
InChIInChI=1S/C12H23N3/c1-2-3-4-5-6-11(7-8-13)12-14-9-10-15-12/h5-6,11H,2-4,7-10,13H2,1H3,(H,14,15)
InChIKeyKBFMBLMPZFEDID-UHFFFAOYSA-N
MW209.34 g/mol
LogP1.70
Rot. Bonds7

About 3-(4,5-dihydro-1H-imidazol-2-yl)non-4-en-1-amine

3-(4,5-dihydro-1H-imidazol-2-yl)non-4-en-1-amine (PubChem CID 70518344) has the molecular formula C12H23N3 and a molecular weight of 209.34 g/mol. Its IUPAC name is 3-(4,5-dihydro-1H-imidazol-2-yl)non-4-en-1-amine.

Molecular Properties

Compound Name3-(4,5-dihydro-1H-imidazol-2-yl)non-4-en-1-amine
PubChem CID70518344
Molecular FormulaC12H23N3
Molecular Weight209.34 g/mol
Exact Mass209.19
IUPAC Name3-(4,5-dihydro-1H-imidazol-2-yl)non-4-en-1-amine
SMILESCCCCC=CC(CCN)C1=NCCN1
InChIInChI=1S/C12H23N3/c1-2-3-4-5-6-11(7-8-13)12-14-9-10-15-12/h5-6,11H,2-4,7-10,13H2,1H3,(H,14,15)
InChIKeyKBFMBLMPZFEDID-UHFFFAOYSA-N
XLogP1.70
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.34
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(4,5-dihydro-1H-imidazol-2-yl)non-4-en-1-amine?
The IUPAC name of 3-(4,5-dihydro-1H-imidazol-2-yl)non-4-en-1-amine (CID 70518344) is 3-(4,5-dihydro-1H-imidazol-2-yl)non-4-en-1-amine.
What is the SMILES notation for 3-(4,5-dihydro-1H-imidazol-2-yl)non-4-en-1-amine?
The canonical SMILES for 3-(4,5-dihydro-1H-imidazol-2-yl)non-4-en-1-amine is CCCCC=CC(CCN)C1=NCCN1.
What is the InChIKey of 3-(4,5-dihydro-1H-imidazol-2-yl)non-4-en-1-amine?
The InChIKey is KBFMBLMPZFEDID-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3/c1-2-3-4-5-6-11(7-8-13)12-14-9-10-15-12/h5-6,11H,2-4,7-10,13H2,1H3,(H,14,15).
What are the key properties of 3-(4,5-dihydro-1H-imidazol-2-yl)non-4-en-1-amine?
3-(4,5-dihydro-1H-imidazol-2-yl)non-4-en-1-amine has a molecular weight of 209.34 g/mol, XLogP of 1.70, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,5-dihydro-1H-imidazol-2-yl)non-4-en-1-amine is sourced from PubChem (CID 70518344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).