alumane;(Z)-octadec-9-en-1-amine

C18H40AlN — CID 175454084

IUPACalumane;(Z)-octadec-9-en-1-amine
SMILESCCCCCCCC/C=C\CCCCCCCCN.[AlH3]
InChIInChI=1S/C18H37N.Al.3H/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19;;;;/h9-10H,2-8,11-19H2,1H3;;;;/b10-9-;;;;
InChIKeySAQQVDPDQASNSY-HKIWRJGFSA-N
MW297.51 g/mol
LogP4.80
Rot. Bonds15

About alumane;(Z)-octadec-9-en-1-amine

alumane;(Z)-octadec-9-en-1-amine (PubChem CID 175454084) has the molecular formula C18H40AlN and a molecular weight of 297.51 g/mol. Its IUPAC name is alumane;(Z)-octadec-9-en-1-amine.

Molecular Properties

Compound Namealumane;(Z)-octadec-9-en-1-amine
PubChem CID175454084
Molecular FormulaC18H40AlN
Molecular Weight297.51 g/mol
Exact Mass297.30
IUPAC Namealumane;(Z)-octadec-9-en-1-amine
SMILESCCCCCCCC/C=C\CCCCCCCCN.[AlH3]
InChIInChI=1S/C18H37N.Al.3H/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19;;;;/h9-10H,2-8,11-19H2,1H3;;;;/b10-9-;;;;
InChIKeySAQQVDPDQASNSY-HKIWRJGFSA-N
XLogP4.80
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds15
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.51
LogP ≤ 54.80
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
(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 alumane;(Z)-octadec-9-en-1-amine?
The IUPAC name of alumane;(Z)-octadec-9-en-1-amine (CID 175454084) is alumane;(Z)-octadec-9-en-1-amine.
What is the SMILES notation for alumane;(Z)-octadec-9-en-1-amine?
The canonical SMILES for alumane;(Z)-octadec-9-en-1-amine is CCCCCCCC/C=C\CCCCCCCCN.[AlH3].
What is the InChIKey of alumane;(Z)-octadec-9-en-1-amine?
The InChIKey is SAQQVDPDQASNSY-HKIWRJGFSA-N. The full InChI is InChI=1S/C18H37N.Al.3H/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19;;;;/h9-10H,2-8,11-19H2,1H3;;;;/b10-9-;;;;.
What are the key properties of alumane;(Z)-octadec-9-en-1-amine?
alumane;(Z)-octadec-9-en-1-amine has a molecular weight of 297.51 g/mol, XLogP of 4.80, 15 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for alumane;(Z)-octadec-9-en-1-amine is sourced from PubChem (CID 175454084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).