(20Z,23Z)-N-ethyl-N-methylnonacosa-20,23-dien-10-amine

C32H63N — CID 56944347

IUPAC(20Z,23Z)-N-ethyl-N-methylnonacosa-20,23-dien-10-amine
SMILESCCCCC/C=C\C/C=C\CCCCCCCCCC(CCCCCCCCC)N(C)CC
InChIInChI=1S/C32H63N/c1-5-8-10-12-14-15-16-17-18-19-20-21-22-23-25-27-29-31-32(33(4)7-3)30-28-26-24-13-11-9-6-2/h14-15,17-18,32H,5-13,16,19-31H2,1-4H3/b15-14-,18-17-
InChIKeyIHKVCZISZBWDEJ-NFYLBXPESA-N
MW461.86 g/mol
LogP11.04
Rot. Bonds26

About (20Z,23Z)-N-ethyl-N-methylnonacosa-20,23-dien-10-amine

(20Z,23Z)-N-ethyl-N-methylnonacosa-20,23-dien-10-amine (PubChem CID 56944347) has the molecular formula C32H63N and a molecular weight of 461.86 g/mol. Its IUPAC name is (20Z,23Z)-N-ethyl-N-methylnonacosa-20,23-dien-10-amine.

Molecular Properties

Compound Name(20Z,23Z)-N-ethyl-N-methylnonacosa-20,23-dien-10-amine
PubChem CID56944347
Molecular FormulaC32H63N
Molecular Weight461.86 g/mol
Exact Mass461.50
IUPAC Name(20Z,23Z)-N-ethyl-N-methylnonacosa-20,23-dien-10-amine
SMILESCCCCC/C=C\C/C=C\CCCCCCCCCC(CCCCCCCCC)N(C)CC
InChIInChI=1S/C32H63N/c1-5-8-10-12-14-15-16-17-18-19-20-21-22-23-25-27-29-31-32(33(4)7-3)30-28-26-24-13-11-9-6-2/h14-15,17-18,32H,5-13,16,19-31H2,1-4H3/b15-14-,18-17-
InChIKeyIHKVCZISZBWDEJ-NFYLBXPESA-N
XLogP11.04
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds26
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500461.86
LogP ≤ 511.04
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 (20Z,23Z)-N-ethyl-N-methylnonacosa-20,23-dien-10-amine with MolForge

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Related Compounds

(6Z,9Z,28Z,31Z)-N-methyl-N-[(9Z,12Z)-octadeca-9,12-dienyl]heptatriaconta-6,9,28,31-tetraen-19-amine
CID 134205277
(18E,21E)-N,N-dimethylheptacosa-18,21-dien-10-amine
CID 87170077
(25Z)-N,N-dimethylhentriaconta-22,25-dien-10-amine
CID 175715549
(12Z,15Z)-N,N-dimethylhenicosa-12,15-dien-4-amine
CID 56944147
N,N-dimethyltetracos-17-en-9-amine
CID 123150200
(Z)-N,N-dimethyltetratriacont-25-en-17-amine
CID 87229276
(Z,10R)-N,N-dimethylnonacos-17-en-10-amine
CID 126711357
N,N-dimethyldotriacont-24-en-10-amine
CID 175230423
(6Z,9Z)-nonadeca-6,9-diene
CID 14701065
(6Z,9Z)-pentacosa-6,9-diene
CID 56936115
hexatriaconta-6,9,12,24,27,30-hexaene
CID 54437867
(2S)-N,N-dimethyl-2-nonylhenicosa-12,15-dien-1-amine
CID 175125330

Frequently Asked Questions

What is the IUPAC name of (20Z,23Z)-N-ethyl-N-methylnonacosa-20,23-dien-10-amine?
The IUPAC name of (20Z,23Z)-N-ethyl-N-methylnonacosa-20,23-dien-10-amine (CID 56944347) is (20Z,23Z)-N-ethyl-N-methylnonacosa-20,23-dien-10-amine.
What is the SMILES notation for (20Z,23Z)-N-ethyl-N-methylnonacosa-20,23-dien-10-amine?
The canonical SMILES for (20Z,23Z)-N-ethyl-N-methylnonacosa-20,23-dien-10-amine is CCCCC/C=C\C/C=C\CCCCCCCCCC(CCCCCCCCC)N(C)CC.
What is the InChIKey of (20Z,23Z)-N-ethyl-N-methylnonacosa-20,23-dien-10-amine?
The InChIKey is IHKVCZISZBWDEJ-NFYLBXPESA-N. The full InChI is InChI=1S/C32H63N/c1-5-8-10-12-14-15-16-17-18-19-20-21-22-23-25-27-29-31-32(33(4)7-3)30-28-26-24-13-11-9-6-2/h14-15,17-18,32H,5-13,16,19-31H2,1-4H3/b15-14-,18-17-.
What are the key properties of (20Z,23Z)-N-ethyl-N-methylnonacosa-20,23-dien-10-amine?
(20Z,23Z)-N-ethyl-N-methylnonacosa-20,23-dien-10-amine has a molecular weight of 461.86 g/mol, XLogP of 11.04, 26 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (20Z,23Z)-N-ethyl-N-methylnonacosa-20,23-dien-10-amine is sourced from PubChem (CID 56944347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).