17-(4,5-dihydro-1H-imidazol-2-yl)heptadec-15-en-1-amine

C20H39N3 — CID 118296081

IUPAC17-(4,5-dihydro-1H-imidazol-2-yl)heptadec-15-en-1-amine
SMILESNCCCCCCCCCCCCCCC=CCC1=NCCN1
InChIInChI=1S/C20H39N3/c21-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-20-22-18-19-23-20/h12,14H,1-11,13,15-19,21H2,(H,22,23)
InChIKeyJFXVFYXWPPYIMB-UHFFFAOYSA-N
MW321.55 g/mol
LogP4.96
Rot. Bonds16

About 17-(4,5-dihydro-1H-imidazol-2-yl)heptadec-15-en-1-amine

17-(4,5-dihydro-1H-imidazol-2-yl)heptadec-15-en-1-amine (PubChem CID 118296081) has the molecular formula C20H39N3 and a molecular weight of 321.55 g/mol. Its IUPAC name is 17-(4,5-dihydro-1H-imidazol-2-yl)heptadec-15-en-1-amine.

Molecular Properties

Compound Name17-(4,5-dihydro-1H-imidazol-2-yl)heptadec-15-en-1-amine
PubChem CID118296081
Molecular FormulaC20H39N3
Molecular Weight321.55 g/mol
Exact Mass321.31
IUPAC Name17-(4,5-dihydro-1H-imidazol-2-yl)heptadec-15-en-1-amine
SMILESNCCCCCCCCCCCCCCC=CCC1=NCCN1
InChIInChI=1S/C20H39N3/c21-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-20-22-18-19-23-20/h12,14H,1-11,13,15-19,21H2,(H,22,23)
InChIKeyJFXVFYXWPPYIMB-UHFFFAOYSA-N
XLogP4.96
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds16
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.55
LogP ≤ 54.96
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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Related Compounds

2-[(Z)-octadec-9-enyl]-4,5-dihydro-1H-imidazole;hydrochloride
CID 66957865
tetradec-7-ene-1,14-diamine
CID 91430908
2-prop-2-enyl-4,5-dihydro-1H-imidazole
CID 57454900
(Z)-1-N'-[2-(4,5-dihydro-1H-imidazol-2-yl)ethyl]icos-11-ene-1,1-diamine
CID 70406813
(Z)-hexacos-9-en-1-amine
CID 139899136
(9Z,27Z)-hexatriaconta-9,27-dien-1-amine
CID 150821100
(Z)-tetradec-7-en-1-amine
CID 10680019
(Z)-triacont-9-en-1-amine
CID 139626552
pentadec-12-en-1-amine
CID 174557378
(10Z)-docosa-10,21-dien-1-amine
CID 153323384
hexacos-7-en-1-amine
CID 54386716
octadec-9-en-1-amine
CID 8219

Frequently Asked Questions

What is the IUPAC name of 17-(4,5-dihydro-1H-imidazol-2-yl)heptadec-15-en-1-amine?
The IUPAC name of 17-(4,5-dihydro-1H-imidazol-2-yl)heptadec-15-en-1-amine (CID 118296081) is 17-(4,5-dihydro-1H-imidazol-2-yl)heptadec-15-en-1-amine.
What is the SMILES notation for 17-(4,5-dihydro-1H-imidazol-2-yl)heptadec-15-en-1-amine?
The canonical SMILES for 17-(4,5-dihydro-1H-imidazol-2-yl)heptadec-15-en-1-amine is NCCCCCCCCCCCCCCC=CCC1=NCCN1.
What is the InChIKey of 17-(4,5-dihydro-1H-imidazol-2-yl)heptadec-15-en-1-amine?
The InChIKey is JFXVFYXWPPYIMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H39N3/c21-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-20-22-18-19-23-20/h12,14H,1-11,13,15-19,21H2,(H,22,23).
What are the key properties of 17-(4,5-dihydro-1H-imidazol-2-yl)heptadec-15-en-1-amine?
17-(4,5-dihydro-1H-imidazol-2-yl)heptadec-15-en-1-amine has a molecular weight of 321.55 g/mol, XLogP of 4.96, 16 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 17-(4,5-dihydro-1H-imidazol-2-yl)heptadec-15-en-1-amine is sourced from PubChem (CID 118296081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).