(20Z,23Z)-N,N-dimethylnonacosa-20,23-dien-10-amine

C31H61N — CID 56944053

IUPAC(20Z,23Z)-N,N-dimethylnonacosa-20,23-dien-10-amine
SMILESCCCCC/C=C\C/C=C\CCCCCCCCCC(CCCCCCCCC)N(C)C
InChIInChI=1S/C31H61N/c1-5-7-9-11-13-14-15-16-17-18-19-20-21-22-24-26-28-30-31(32(3)4)29-27-25-23-12-10-8-6-2/h13-14,16-17,31H,5-12,15,18-30H2,1-4H3/b14-13-,17-16-
InChIKeyPOBBAOCNGBEZJQ-AUGURXLVSA-N
MW447.84 g/mol
LogP10.65
Rot. Bonds25

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

(20Z,23Z)-N,N-dimethylnonacosa-20,23-dien-10-amine (PubChem CID 56944053) has the molecular formula C31H61N and a molecular weight of 447.84 g/mol. Its IUPAC name is (20Z,23Z)-N,N-dimethylnonacosa-20,23-dien-10-amine.

Molecular Properties

Compound Name(20Z,23Z)-N,N-dimethylnonacosa-20,23-dien-10-amine
PubChem CID56944053
Molecular FormulaC31H61N
Molecular Weight447.84 g/mol
Exact Mass447.48
IUPAC Name(20Z,23Z)-N,N-dimethylnonacosa-20,23-dien-10-amine
SMILESCCCCC/C=C\C/C=C\CCCCCCCCCC(CCCCCCCCC)N(C)C
InChIInChI=1S/C31H61N/c1-5-7-9-11-13-14-15-16-17-18-19-20-21-22-24-26-28-30-31(32(3)4)29-27-25-23-12-10-8-6-2/h13-14,16-17,31H,5-12,15,18-30H2,1-4H3/b14-13-,17-16-
InChIKeyPOBBAOCNGBEZJQ-AUGURXLVSA-N
XLogP10.65
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds25
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.84
LogP ≤ 510.65
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 (20Z,23Z)-N,N-dimethylnonacosa-20,23-dien-10-amine?
The IUPAC name of (20Z,23Z)-N,N-dimethylnonacosa-20,23-dien-10-amine (CID 56944053) is (20Z,23Z)-N,N-dimethylnonacosa-20,23-dien-10-amine.
What is the SMILES notation for (20Z,23Z)-N,N-dimethylnonacosa-20,23-dien-10-amine?
The canonical SMILES for (20Z,23Z)-N,N-dimethylnonacosa-20,23-dien-10-amine is CCCCC/C=C\C/C=C\CCCCCCCCCC(CCCCCCCCC)N(C)C.
What is the InChIKey of (20Z,23Z)-N,N-dimethylnonacosa-20,23-dien-10-amine?
The InChIKey is POBBAOCNGBEZJQ-AUGURXLVSA-N. The full InChI is InChI=1S/C31H61N/c1-5-7-9-11-13-14-15-16-17-18-19-20-21-22-24-26-28-30-31(32(3)4)29-27-25-23-12-10-8-6-2/h13-14,16-17,31H,5-12,15,18-30H2,1-4H3/b14-13-,17-16-.
What are the key properties of (20Z,23Z)-N,N-dimethylnonacosa-20,23-dien-10-amine?
(20Z,23Z)-N,N-dimethylnonacosa-20,23-dien-10-amine has a molecular weight of 447.84 g/mol, XLogP of 10.65, 25 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (20Z,23Z)-N,N-dimethylnonacosa-20,23-dien-10-amine is sourced from PubChem (CID 56944053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).