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

C25H46N2 — CID 68964749

IUPAC(Z)-octadec-9-en-1-amine;phenylmethanamine
SMILESCCCCCCCC/C=C\CCCCCCCCN.NCc1ccccc1
InChIInChI=1S/C18H37N.C7H9N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19;8-6-7-4-2-1-3-5-7/h9-10H,2-8,11-19H2,1H3;1-5H,6,8H2/b10-9-;
InChIKeyQROZHPXVCNFQEB-KVVVOXFISA-N
MW374.66 g/mol
LogP7.13
Rot. Bonds16

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

(Z)-octadec-9-en-1-amine;phenylmethanamine (PubChem CID 68964749) has the molecular formula C25H46N2 and a molecular weight of 374.66 g/mol. Its IUPAC name is (Z)-octadec-9-en-1-amine;phenylmethanamine.

Molecular Properties

Compound Name(Z)-octadec-9-en-1-amine;phenylmethanamine
PubChem CID68964749
Molecular FormulaC25H46N2
Molecular Weight374.66 g/mol
Exact Mass374.37
IUPAC Name(Z)-octadec-9-en-1-amine;phenylmethanamine
SMILESCCCCCCCC/C=C\CCCCCCCCN.NCc1ccccc1
InChIInChI=1S/C18H37N.C7H9N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19;8-6-7-4-2-1-3-5-7/h9-10H,2-8,11-19H2,1H3;1-5H,6,8H2/b10-9-;
InChIKeyQROZHPXVCNFQEB-KVVVOXFISA-N
XLogP7.13
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds16
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.66
LogP ≤ 57.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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)-octadec-9-enoic acid;phenylmethanamine
CID 56592825
hexadec-4-en-1-amine
CID 123939288
(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
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
dodec-4-enylbenzene
CID 54018856
nonadec-10-enylbenzene
CID 54264053

Frequently Asked Questions

What is the IUPAC name of (Z)-octadec-9-en-1-amine;phenylmethanamine?
The IUPAC name of (Z)-octadec-9-en-1-amine;phenylmethanamine (CID 68964749) is (Z)-octadec-9-en-1-amine;phenylmethanamine.
What is the SMILES notation for (Z)-octadec-9-en-1-amine;phenylmethanamine?
The canonical SMILES for (Z)-octadec-9-en-1-amine;phenylmethanamine is CCCCCCCC/C=C\CCCCCCCCN.NCc1ccccc1.
What is the InChIKey of (Z)-octadec-9-en-1-amine;phenylmethanamine?
The InChIKey is QROZHPXVCNFQEB-KVVVOXFISA-N. The full InChI is InChI=1S/C18H37N.C7H9N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19;8-6-7-4-2-1-3-5-7/h9-10H,2-8,11-19H2,1H3;1-5H,6,8H2/b10-9-;.
What are the key properties of (Z)-octadec-9-en-1-amine;phenylmethanamine?
(Z)-octadec-9-en-1-amine;phenylmethanamine has a molecular weight of 374.66 g/mol, XLogP of 7.13, 16 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-octadec-9-en-1-amine;phenylmethanamine is sourced from PubChem (CID 68964749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).