(E)-octadec-9-en-9-amine

C18H37N — CID 146566069

IUPAC(E)-octadec-9-en-9-amine
SMILESCCCCCCCC/C=C(/N)CCCCCCCC
InChIInChI=1S/C18H37N/c1-3-5-7-9-11-13-15-17-18(19)16-14-12-10-8-6-4-2/h17H,3-16,19H2,1-2H3/b18-17+
InChIKeyGKBHXYZWVWVCNZ-ISLYRVAYSA-N
MW267.50 g/mol
LogP6.33
Rot. Bonds14

About (E)-octadec-9-en-9-amine

(E)-octadec-9-en-9-amine (PubChem CID 146566069) has the molecular formula C18H37N and a molecular weight of 267.50 g/mol. Its IUPAC name is (E)-octadec-9-en-9-amine.

Molecular Properties

Compound Name(E)-octadec-9-en-9-amine
PubChem CID146566069
Molecular FormulaC18H37N
Molecular Weight267.50 g/mol
Exact Mass267.29
IUPAC Name(E)-octadec-9-en-9-amine
SMILESCCCCCCCC/C=C(/N)CCCCCCCC
InChIInChI=1S/C18H37N/c1-3-5-7-9-11-13-15-17-18(19)16-14-12-10-8-6-4-2/h17H,3-16,19H2,1-2H3/b18-17+
InChIKeyGKBHXYZWVWVCNZ-ISLYRVAYSA-N
XLogP6.33
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds14
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500267.50
LogP ≤ 56.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(Z)-dodec-3-en-4-amine
CID 21249690
undec-3-en-3-amine
CID 151904505
(12Z)-henicosa-3,12-dien-4-amine
CID 173278495
dodec-2-ene-1,3-diamine
CID 173393775
dec-2-en-3-amine
CID 154268798
(Z)-nonadec-2-en-3-amine
CID 139654417
tricos-1-ene-1,1-diamine
CID 141373485
2-dodecylpentadec-2-enamide
CID 173002797
(E)-dec-1-ene-1,2-diamine
CID 87327630
hexatriacont-17-en-18-ol
CID 173290872
7-methyloctadec-7-ene
CID 123477460
(E)-9-methylnonadec-9-ene
CID 14783585

Frequently Asked Questions

What is the IUPAC name of (E)-octadec-9-en-9-amine?
The IUPAC name of (E)-octadec-9-en-9-amine (CID 146566069) is (E)-octadec-9-en-9-amine.
What is the SMILES notation for (E)-octadec-9-en-9-amine?
The canonical SMILES for (E)-octadec-9-en-9-amine is CCCCCCCC/C=C(/N)CCCCCCCC.
What is the InChIKey of (E)-octadec-9-en-9-amine?
The InChIKey is GKBHXYZWVWVCNZ-ISLYRVAYSA-N. The full InChI is InChI=1S/C18H37N/c1-3-5-7-9-11-13-15-17-18(19)16-14-12-10-8-6-4-2/h17H,3-16,19H2,1-2H3/b18-17+.
What are the key properties of (E)-octadec-9-en-9-amine?
(E)-octadec-9-en-9-amine has a molecular weight of 267.50 g/mol, XLogP of 6.33, 14 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-octadec-9-en-9-amine is sourced from PubChem (CID 146566069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).