4,5-dihydro-1H-imidazole;nonadec-3-en-1-amine

C22H45N3 — CID 159981876

IUPAC4,5-dihydro-1H-imidazole;nonadec-3-en-1-amine
SMILESC1=NCCN1.CCCCCCCCCCCCCCCC=CCCN
InChIInChI=1S/C19H39N.C3H6N2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20;1-2-5-3-4-1/h16-17H,2-15,18-20H2,1H3;3H,1-2H2,(H,4,5)
InChIKeyOFWITLPFVNSHOT-UHFFFAOYSA-N
MW351.62 g/mol
LogP5.99
Rot. Bonds16

About 4,5-dihydro-1H-imidazole;nonadec-3-en-1-amine

4,5-dihydro-1H-imidazole;nonadec-3-en-1-amine (PubChem CID 159981876) has the molecular formula C22H45N3 and a molecular weight of 351.62 g/mol. Its IUPAC name is 4,5-dihydro-1H-imidazole;nonadec-3-en-1-amine.

Molecular Properties

Compound Name4,5-dihydro-1H-imidazole;nonadec-3-en-1-amine
PubChem CID159981876
Molecular FormulaC22H45N3
Molecular Weight351.62 g/mol
Exact Mass351.36
IUPAC Name4,5-dihydro-1H-imidazole;nonadec-3-en-1-amine
SMILESC1=NCCN1.CCCCCCCCCCCCCCCC=CCCN
InChIInChI=1S/C19H39N.C3H6N2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20;1-2-5-3-4-1/h16-17H,2-15,18-20H2,1H3;3H,1-2H2,(H,4,5)
InChIKeyOFWITLPFVNSHOT-UHFFFAOYSA-N
XLogP5.99
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds16
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.62
LogP ≤ 55.99
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 4,5-dihydro-1H-imidazole;nonadec-3-en-1-amine?
The IUPAC name of 4,5-dihydro-1H-imidazole;nonadec-3-en-1-amine (CID 159981876) is 4,5-dihydro-1H-imidazole;nonadec-3-en-1-amine.
What is the SMILES notation for 4,5-dihydro-1H-imidazole;nonadec-3-en-1-amine?
The canonical SMILES for 4,5-dihydro-1H-imidazole;nonadec-3-en-1-amine is C1=NCCN1.CCCCCCCCCCCCCCCC=CCCN.
What is the InChIKey of 4,5-dihydro-1H-imidazole;nonadec-3-en-1-amine?
The InChIKey is OFWITLPFVNSHOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H39N.C3H6N2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20;1-2-5-3-4-1/h16-17H,2-15,18-20H2,1H3;3H,1-2H2,(H,4,5).
What are the key properties of 4,5-dihydro-1H-imidazole;nonadec-3-en-1-amine?
4,5-dihydro-1H-imidazole;nonadec-3-en-1-amine has a molecular weight of 351.62 g/mol, XLogP of 5.99, 16 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dihydro-1H-imidazole;nonadec-3-en-1-amine is sourced from PubChem (CID 159981876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).