hexadec-4-en-1-amine

C16H33N — CID 123939288

IUPAChexadec-4-en-1-amine
SMILESCCCCCCCCCCCC=CCCCN
InChIInChI=1S/C16H33N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17/h12-13H,2-11,14-17H2,1H3
InChIKeyQVNIPCAKIRFWFR-UHFFFAOYSA-N
MW239.45 g/mol
LogP5.20
Rot. Bonds13

About hexadec-4-en-1-amine

hexadec-4-en-1-amine (PubChem CID 123939288) has the molecular formula C16H33N and a molecular weight of 239.45 g/mol. Its IUPAC name is hexadec-4-en-1-amine.

Molecular Properties

Compound Namehexadec-4-en-1-amine
PubChem CID123939288
Molecular FormulaC16H33N
Molecular Weight239.45 g/mol
Exact Mass239.26
IUPAC Namehexadec-4-en-1-amine
SMILESCCCCCCCCCCCC=CCCCN
InChIInChI=1S/C16H33N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17/h12-13H,2-11,14-17H2,1H3
InChIKeyQVNIPCAKIRFWFR-UHFFFAOYSA-N
XLogP5.20
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds13
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500239.45
LogP ≤ 55.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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

(Z)-triacont-9-en-1-amine
CID 139626552
(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
hexatriacont-9-en-1-amine
CID 154086335
octadec-9-en-1-amine
CID 8219
henicos-9-en-1-amine
CID 154097370
hexacos-7-en-1-amine
CID 54386716
alumane;(Z)-octadec-9-en-1-amine
CID 175454084
(Z)-octadec-9-en-1-amine;zinc;hydrochloride
CID 130429718
(12E,15E)-henicosa-12,15-dien-1-amine
CID 139349324
(9E,12E)-octadeca-9,12-dien-1-amine
CID 6504752

Frequently Asked Questions

What is the IUPAC name of hexadec-4-en-1-amine?
The IUPAC name of hexadec-4-en-1-amine (CID 123939288) is hexadec-4-en-1-amine.
What is the SMILES notation for hexadec-4-en-1-amine?
The canonical SMILES for hexadec-4-en-1-amine is CCCCCCCCCCCC=CCCCN.
What is the InChIKey of hexadec-4-en-1-amine?
The InChIKey is QVNIPCAKIRFWFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17/h12-13H,2-11,14-17H2,1H3.
What are the key properties of hexadec-4-en-1-amine?
hexadec-4-en-1-amine has a molecular weight of 239.45 g/mol, XLogP of 5.20, 13 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for hexadec-4-en-1-amine is sourced from PubChem (CID 123939288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).