(15Z,18Z)-N,N-dimethyl-6-octadeca-9,12-dienyltetracosa-15,18-dien-1-amine

C44H83N — CID 171447799

IUPAC(15Z,18Z)-N,N-dimethyl-6-octadeca-9,12-dienyltetracosa-15,18-dien-1-amine
SMILESCCCCCC=CCC=CCCCCCCCCC(CCCCCCCC/C=C\C/C=C\CCCCC)CCCCCN(C)C
InChIInChI=1S/C44H83N/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-36-40-44(42-38-35-39-43-45(3)4)41-37-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-2/h13-16,19-22,44H,5-12,17-18,23-43H2,1-4H3/b15-13-,16-14?,21-19-,22-20?
InChIKeyFGJSHFMKZQRTFD-MNMREVDWSA-N
MW626.15 g/mol
LogP15.13
Rot. Bonds36

About (15Z,18Z)-N,N-dimethyl-6-octadeca-9,12-dienyltetracosa-15,18-dien-1-amine

(15Z,18Z)-N,N-dimethyl-6-octadeca-9,12-dienyltetracosa-15,18-dien-1-amine (PubChem CID 171447799) has the molecular formula C44H83N and a molecular weight of 626.15 g/mol. Its IUPAC name is (15Z,18Z)-N,N-dimethyl-6-octadeca-9,12-dienyltetracosa-15,18-dien-1-amine.

Molecular Properties

Compound Name(15Z,18Z)-N,N-dimethyl-6-octadeca-9,12-dienyltetracosa-15,18-dien-1-amine
PubChem CID171447799
Molecular FormulaC44H83N
Molecular Weight626.15 g/mol
Exact Mass625.65
IUPAC Name(15Z,18Z)-N,N-dimethyl-6-octadeca-9,12-dienyltetracosa-15,18-dien-1-amine
SMILESCCCCCC=CCC=CCCCCCCCCC(CCCCCCCC/C=C\C/C=C\CCCCC)CCCCCN(C)C
InChIInChI=1S/C44H83N/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-36-40-44(42-38-35-39-43-45(3)4)41-37-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-2/h13-16,19-22,44H,5-12,17-18,23-43H2,1-4H3/b15-13-,16-14?,21-19-,22-20?
InChIKeyFGJSHFMKZQRTFD-MNMREVDWSA-N
XLogP15.13
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds36
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500626.15
LogP ≤ 515.13
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'}

Analyze (15Z,18Z)-N,N-dimethyl-6-octadeca-9,12-dienyltetracosa-15,18-dien-1-amine with MolForge

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Related Compounds

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CID 146462803
(2S)-N,N-dimethyl-2-nonylhenicosa-12,15-dien-1-amine
CID 175125330
N,N,N'-trimethyl-N'-(2-octadeca-9,12-dienylicosa-11,14-dienyl)ethane-1,2-diamine
CID 76686112
19-propyltritriaconta-6,9,24-triene
CID 54372361
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CID 102116363
(Z)-N,N-dimethylhenicos-12-en-1-amine
CID 173308130
N,N-dimethylhexadec-7-en-1-amine
CID 3085374
(6Z,9Z,28Z,31Z)-N-methyl-N-[(9Z,12Z)-octadeca-9,12-dienyl]heptatriaconta-6,9,28,31-tetraen-19-amine
CID 134205277
N,N-dimethyl-3-[[(9Z,12Z)-octadeca-9,12-dienoxy]methyl]undecan-1-amine
CID 87173676
1-N-[(6Z,9Z,28Z,31Z)-heptatriaconta-6,9,28,31-tetraen-19-yl]-6-N,6-N-dimethylhexane-1,2,6-triamine
CID 86304988
3-pentyloctyl (20Z,23Z)-10-[3-(dimethylamino)propyl]nonacosa-20,23-dienoate
CID 151312855
N,N-dimethyl-4-pentyldecan-1-amine
CID 154963901

Frequently Asked Questions

What is the IUPAC name of (15Z,18Z)-N,N-dimethyl-6-octadeca-9,12-dienyltetracosa-15,18-dien-1-amine?
The IUPAC name of (15Z,18Z)-N,N-dimethyl-6-octadeca-9,12-dienyltetracosa-15,18-dien-1-amine (CID 171447799) is (15Z,18Z)-N,N-dimethyl-6-octadeca-9,12-dienyltetracosa-15,18-dien-1-amine.
What is the SMILES notation for (15Z,18Z)-N,N-dimethyl-6-octadeca-9,12-dienyltetracosa-15,18-dien-1-amine?
The canonical SMILES for (15Z,18Z)-N,N-dimethyl-6-octadeca-9,12-dienyltetracosa-15,18-dien-1-amine is CCCCCC=CCC=CCCCCCCCCC(CCCCCCCC/C=C\C/C=C\CCCCC)CCCCCN(C)C.
What is the InChIKey of (15Z,18Z)-N,N-dimethyl-6-octadeca-9,12-dienyltetracosa-15,18-dien-1-amine?
The InChIKey is FGJSHFMKZQRTFD-MNMREVDWSA-N. The full InChI is InChI=1S/C44H83N/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-36-40-44(42-38-35-39-43-45(3)4)41-37-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-2/h13-16,19-22,44H,5-12,17-18,23-43H2,1-4H3/b15-13-,16-14?,21-19-,22-20?.
What are the key properties of (15Z,18Z)-N,N-dimethyl-6-octadeca-9,12-dienyltetracosa-15,18-dien-1-amine?
(15Z,18Z)-N,N-dimethyl-6-octadeca-9,12-dienyltetracosa-15,18-dien-1-amine has a molecular weight of 626.15 g/mol, XLogP of 15.13, 36 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (15Z,18Z)-N,N-dimethyl-6-octadeca-9,12-dienyltetracosa-15,18-dien-1-amine is sourced from PubChem (CID 171447799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).