(9Z,12Z)-N,N-dimethyloctadeca-9,12-dien-1-amine

C20H39N — CID 6858003

IUPAC(9Z,12Z)-N,N-dimethyloctadeca-9,12-dien-1-amine
SMILESCCCCC/C=C\C/C=C\CCCCCCCCN(C)C
InChIInChI=1S/C20H39N/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(2)3/h8-9,11-12H,4-7,10,13-20H2,1-3H3/b9-8-,12-11-
InChIKeyQDIDCBNJXMANFY-MURFETPASA-N
MW293.54 g/mol
LogP6.36
Rot. Bonds15

About (9Z,12Z)-N,N-dimethyloctadeca-9,12-dien-1-amine

(9Z,12Z)-N,N-dimethyloctadeca-9,12-dien-1-amine (PubChem CID 6858003) has the molecular formula C20H39N and a molecular weight of 293.54 g/mol. Its IUPAC name is (9Z,12Z)-N,N-dimethyloctadeca-9,12-dien-1-amine.

Molecular Properties

Compound Name(9Z,12Z)-N,N-dimethyloctadeca-9,12-dien-1-amine
PubChem CID6858003
Molecular FormulaC20H39N
Molecular Weight293.54 g/mol
Exact Mass293.31
IUPAC Name(9Z,12Z)-N,N-dimethyloctadeca-9,12-dien-1-amine
SMILESCCCCC/C=C\C/C=C\CCCCCCCCN(C)C
InChIInChI=1S/C20H39N/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(2)3/h8-9,11-12H,4-7,10,13-20H2,1-3H3/b9-8-,12-11-
InChIKeyQDIDCBNJXMANFY-MURFETPASA-N
XLogP6.36
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds15
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500293.54
LogP ≤ 56.36
H-Bond Donors ≤ 50
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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Frequently Asked Questions

What is the IUPAC name of (9Z,12Z)-N,N-dimethyloctadeca-9,12-dien-1-amine?
The IUPAC name of (9Z,12Z)-N,N-dimethyloctadeca-9,12-dien-1-amine (CID 6858003) is (9Z,12Z)-N,N-dimethyloctadeca-9,12-dien-1-amine.
What is the SMILES notation for (9Z,12Z)-N,N-dimethyloctadeca-9,12-dien-1-amine?
The canonical SMILES for (9Z,12Z)-N,N-dimethyloctadeca-9,12-dien-1-amine is CCCCC/C=C\C/C=C\CCCCCCCCN(C)C.
What is the InChIKey of (9Z,12Z)-N,N-dimethyloctadeca-9,12-dien-1-amine?
The InChIKey is QDIDCBNJXMANFY-MURFETPASA-N. The full InChI is InChI=1S/C20H39N/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(2)3/h8-9,11-12H,4-7,10,13-20H2,1-3H3/b9-8-,12-11-.
What are the key properties of (9Z,12Z)-N,N-dimethyloctadeca-9,12-dien-1-amine?
(9Z,12Z)-N,N-dimethyloctadeca-9,12-dien-1-amine has a molecular weight of 293.54 g/mol, XLogP of 6.36, 15 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (9Z,12Z)-N,N-dimethyloctadeca-9,12-dien-1-amine is sourced from PubChem (CID 6858003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).