hexatriacont-9-en-1-amine

C36H73N — CID 154086335

IUPAChexatriacont-9-en-1-amine
SMILESCCCCCCCCCCCCCCCCCCCCCCCCCCC=CCCCCCCCCN
InChIInChI=1S/C36H73N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-36-37/h27-28H,2-26,29-37H2,1H3
InChIKeyDWBOTHNGDAMFSW-UHFFFAOYSA-N
MW519.99 g/mol
LogP13.00
Rot. Bonds33

About hexatriacont-9-en-1-amine

hexatriacont-9-en-1-amine (PubChem CID 154086335) has the molecular formula C36H73N and a molecular weight of 519.99 g/mol. Its IUPAC name is hexatriacont-9-en-1-amine.

Molecular Properties

Compound Namehexatriacont-9-en-1-amine
PubChem CID154086335
Molecular FormulaC36H73N
Molecular Weight519.99 g/mol
Exact Mass519.57
IUPAC Namehexatriacont-9-en-1-amine
SMILESCCCCCCCCCCCCCCCCCCCCCCCCCCC=CCCCCCCCCN
InChIInChI=1S/C36H73N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-36-37/h27-28H,2-26,29-37H2,1H3
InChIKeyDWBOTHNGDAMFSW-UHFFFAOYSA-N
XLogP13.00
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds33
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500519.99
LogP ≤ 513.00
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'}

Analyze hexatriacont-9-en-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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
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
hexadec-4-en-1-amine
CID 123939288
(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 hexatriacont-9-en-1-amine?
The IUPAC name of hexatriacont-9-en-1-amine (CID 154086335) is hexatriacont-9-en-1-amine.
What is the SMILES notation for hexatriacont-9-en-1-amine?
The canonical SMILES for hexatriacont-9-en-1-amine is CCCCCCCCCCCCCCCCCCCCCCCCCCC=CCCCCCCCCN.
What is the InChIKey of hexatriacont-9-en-1-amine?
The InChIKey is DWBOTHNGDAMFSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H73N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-36-37/h27-28H,2-26,29-37H2,1H3.
What are the key properties of hexatriacont-9-en-1-amine?
hexatriacont-9-en-1-amine has a molecular weight of 519.99 g/mol, XLogP of 13.00, 33 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for hexatriacont-9-en-1-amine is sourced from PubChem (CID 154086335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).