(15Z,18Z)-N,N-dimethyl-6-[8-[[(Z)-non-3-enylidene]amino]octyl]tetracosa-15,18-dien-1-amine

C43H82N2 — CID 167023027

IUPAC(15Z,18Z)-N,N-dimethyl-6-[8-[[(Z)-non-3-enylidene]amino]octyl]tetracosa-15,18-dien-1-amine
SMILESCCCCC/C=C\C/C=C\CCCCCCCCC(CCCCCCCC/N=C/C/C=C\CCCCC)CCCCCN(C)C
InChIInChI=1S/C43H82N2/c1-5-7-9-11-13-14-15-16-17-18-19-20-21-22-26-31-37-43(39-33-30-36-42-45(3)4)38-32-27-23-25-29-35-41-44-40-34-28-24-12-10-8-6-2/h13-14,16-17,24,28,40,43H,5-12,15,18-23,25-27,29-39,41-42H2,1-4H3/b14-13-,17-16-,28-24-,44-40+
InChIKeyQGVOCCQIHTUNMJ-PDHJYRGGSA-N
MW627.14 g/mol
LogP14.26
Rot. Bonds36

About (15Z,18Z)-N,N-dimethyl-6-[8-[[(Z)-non-3-enylidene]amino]octyl]tetracosa-15,18-dien-1-amine

(15Z,18Z)-N,N-dimethyl-6-[8-[[(Z)-non-3-enylidene]amino]octyl]tetracosa-15,18-dien-1-amine (PubChem CID 167023027) has the molecular formula C43H82N2 and a molecular weight of 627.14 g/mol. Its IUPAC name is (15Z,18Z)-N,N-dimethyl-6-[8-[[(Z)-non-3-enylidene]amino]octyl]tetracosa-15,18-dien-1-amine.

Molecular Properties

Compound Name(15Z,18Z)-N,N-dimethyl-6-[8-[[(Z)-non-3-enylidene]amino]octyl]tetracosa-15,18-dien-1-amine
PubChem CID167023027
Molecular FormulaC43H82N2
Molecular Weight627.14 g/mol
Exact Mass626.65
IUPAC Name(15Z,18Z)-N,N-dimethyl-6-[8-[[(Z)-non-3-enylidene]amino]octyl]tetracosa-15,18-dien-1-amine
SMILESCCCCC/C=C\C/C=C\CCCCCCCCC(CCCCCCCC/N=C/C/C=C\CCCCC)CCCCCN(C)C
InChIInChI=1S/C43H82N2/c1-5-7-9-11-13-14-15-16-17-18-19-20-21-22-26-31-37-43(39-33-30-36-42-45(3)4)38-32-27-23-25-29-35-41-44-40-34-28-24-12-10-8-6-2/h13-14,16-17,24,28,40,43H,5-12,15,18-23,25-27,29-39,41-42H2,1-4H3/b14-13-,17-16-,28-24-,44-40+
InChIKeyQGVOCCQIHTUNMJ-PDHJYRGGSA-N
XLogP14.26
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds36
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500627.14
LogP ≤ 514.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (15Z,18Z)-N,N-dimethyl-6-[8-[[(Z)-non-3-enylidene]amino]octyl]tetracosa-15,18-dien-1-amine?
The IUPAC name of (15Z,18Z)-N,N-dimethyl-6-[8-[[(Z)-non-3-enylidene]amino]octyl]tetracosa-15,18-dien-1-amine (CID 167023027) is (15Z,18Z)-N,N-dimethyl-6-[8-[[(Z)-non-3-enylidene]amino]octyl]tetracosa-15,18-dien-1-amine.
What is the SMILES notation for (15Z,18Z)-N,N-dimethyl-6-[8-[[(Z)-non-3-enylidene]amino]octyl]tetracosa-15,18-dien-1-amine?
The canonical SMILES for (15Z,18Z)-N,N-dimethyl-6-[8-[[(Z)-non-3-enylidene]amino]octyl]tetracosa-15,18-dien-1-amine is CCCCC/C=C\C/C=C\CCCCCCCCC(CCCCCCCC/N=C/C/C=C\CCCCC)CCCCCN(C)C.
What is the InChIKey of (15Z,18Z)-N,N-dimethyl-6-[8-[[(Z)-non-3-enylidene]amino]octyl]tetracosa-15,18-dien-1-amine?
The InChIKey is QGVOCCQIHTUNMJ-PDHJYRGGSA-N. The full InChI is InChI=1S/C43H82N2/c1-5-7-9-11-13-14-15-16-17-18-19-20-21-22-26-31-37-43(39-33-30-36-42-45(3)4)38-32-27-23-25-29-35-41-44-40-34-28-24-12-10-8-6-2/h13-14,16-17,24,28,40,43H,5-12,15,18-23,25-27,29-39,41-42H2,1-4H3/b14-13-,17-16-,28-24-,44-40+.
What are the key properties of (15Z,18Z)-N,N-dimethyl-6-[8-[[(Z)-non-3-enylidene]amino]octyl]tetracosa-15,18-dien-1-amine?
(15Z,18Z)-N,N-dimethyl-6-[8-[[(Z)-non-3-enylidene]amino]octyl]tetracosa-15,18-dien-1-amine has a molecular weight of 627.14 g/mol, XLogP of 14.26, 36 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (15Z,18Z)-N,N-dimethyl-6-[8-[[(Z)-non-3-enylidene]amino]octyl]tetracosa-15,18-dien-1-amine is sourced from PubChem (CID 167023027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).