N,N-dimethyltetradecan-1-amine;(Z)-octadec-9-enoic acid

C34H69NO2 — CID 6437985

IUPACN,N-dimethyltetradecan-1-amine;(Z)-octadec-9-enoic acid
SMILESCCCCCCCC/C=C\CCCCCCCC(=O)O.CCCCCCCCCCCCCCN(C)C
InChIInChI=1S/C18H34O2.C16H35N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;1-4-5-6-7-8-9-10-11-12-13-14-15-16-17(2)3/h9-10H,2-8,11-17H2,1H3,(H,19,20);4-16H2,1-3H3/b10-9-;
InChIKeyURQJVDIQFZLSQF-KVVVOXFISA-N
MW523.93 g/mol
LogP11.36
Rot. Bonds28

About N,N-dimethyltetradecan-1-amine;(Z)-octadec-9-enoic acid

N,N-dimethyltetradecan-1-amine;(Z)-octadec-9-enoic acid (PubChem CID 6437985) has the molecular formula C34H69NO2 and a molecular weight of 523.93 g/mol. Its IUPAC name is N,N-dimethyltetradecan-1-amine;(Z)-octadec-9-enoic acid.

Molecular Properties

Compound NameN,N-dimethyltetradecan-1-amine;(Z)-octadec-9-enoic acid
PubChem CID6437985
Molecular FormulaC34H69NO2
Molecular Weight523.93 g/mol
Exact Mass523.53
IUPAC NameN,N-dimethyltetradecan-1-amine;(Z)-octadec-9-enoic acid
SMILESCCCCCCCC/C=C\CCCCCCCC(=O)O.CCCCCCCCCCCCCCN(C)C
InChIInChI=1S/C18H34O2.C16H35N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;1-4-5-6-7-8-9-10-11-12-13-14-15-16-17(2)3/h9-10H,2-8,11-17H2,1H3,(H,19,20);4-16H2,1-3H3/b10-9-;
InChIKeyURQJVDIQFZLSQF-KVVVOXFISA-N
XLogP11.36
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds28
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500523.93
LogP ≤ 511.36
H-Bond Donors ≤ 51
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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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyltetradecan-1-amine;(Z)-octadec-9-enoic acid?
The IUPAC name of N,N-dimethyltetradecan-1-amine;(Z)-octadec-9-enoic acid (CID 6437985) is N,N-dimethyltetradecan-1-amine;(Z)-octadec-9-enoic acid.
What is the SMILES notation for N,N-dimethyltetradecan-1-amine;(Z)-octadec-9-enoic acid?
The canonical SMILES for N,N-dimethyltetradecan-1-amine;(Z)-octadec-9-enoic acid is CCCCCCCC/C=C\CCCCCCCC(=O)O.CCCCCCCCCCCCCCN(C)C.
What is the InChIKey of N,N-dimethyltetradecan-1-amine;(Z)-octadec-9-enoic acid?
The InChIKey is URQJVDIQFZLSQF-KVVVOXFISA-N. The full InChI is InChI=1S/C18H34O2.C16H35N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;1-4-5-6-7-8-9-10-11-12-13-14-15-16-17(2)3/h9-10H,2-8,11-17H2,1H3,(H,19,20);4-16H2,1-3H3/b10-9-;.
What are the key properties of N,N-dimethyltetradecan-1-amine;(Z)-octadec-9-enoic acid?
N,N-dimethyltetradecan-1-amine;(Z)-octadec-9-enoic acid has a molecular weight of 523.93 g/mol, XLogP of 11.36, 28 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyltetradecan-1-amine;(Z)-octadec-9-enoic acid is sourced from PubChem (CID 6437985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).