pentadec-12-en-1-amine

C15H31N — CID 174557378

IUPACpentadec-12-en-1-amine
SMILESCCC=CCCCCCCCCCCCN
InChIInChI=1S/C15H31N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16/h3-4H,2,5-16H2,1H3
InChIKeyZBOWATHJPBRSLG-UHFFFAOYSA-N
MW225.42 g/mol
LogP4.81
Rot. Bonds12

About pentadec-12-en-1-amine

pentadec-12-en-1-amine (PubChem CID 174557378) has the molecular formula C15H31N and a molecular weight of 225.42 g/mol. Its IUPAC name is pentadec-12-en-1-amine.

Molecular Properties

Compound Namepentadec-12-en-1-amine
PubChem CID174557378
Molecular FormulaC15H31N
Molecular Weight225.42 g/mol
Exact Mass225.25
IUPAC Namepentadec-12-en-1-amine
SMILESCCC=CCCCCCCCCCCCN
InChIInChI=1S/C15H31N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16/h3-4H,2,5-16H2,1H3
InChIKeyZBOWATHJPBRSLG-UHFFFAOYSA-N
XLogP4.81
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.42
LogP ≤ 54.81
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

N'-oct-5-enylhexane-1,6-diamine
CID 90705008
(3E,16E)-nonadeca-3,16-diene
CID 157471321
tetradec-7-ene-1,14-diamine
CID 91430908
hexacos-7-en-1-amine
CID 54386716
hexatriacont-9-en-1-amine
CID 154086335
(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
octadec-9-en-1-amine
CID 8219
henicos-9-en-1-amine
CID 154097370
alumane;(Z)-octadec-9-en-1-amine
CID 175454084

Frequently Asked Questions

What is the IUPAC name of pentadec-12-en-1-amine?
The IUPAC name of pentadec-12-en-1-amine (CID 174557378) is pentadec-12-en-1-amine.
What is the SMILES notation for pentadec-12-en-1-amine?
The canonical SMILES for pentadec-12-en-1-amine is CCC=CCCCCCCCCCCCN.
What is the InChIKey of pentadec-12-en-1-amine?
The InChIKey is ZBOWATHJPBRSLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16/h3-4H,2,5-16H2,1H3.
What are the key properties of pentadec-12-en-1-amine?
pentadec-12-en-1-amine has a molecular weight of 225.42 g/mol, XLogP of 4.81, 12 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for pentadec-12-en-1-amine is sourced from PubChem (CID 174557378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).