(13Z,16Z)-N,N-dimethyl-3-nonyldocosa-13,16-dien-1-amine

C33H65N — CID 56944531

IUPAC(13Z,16Z)-N,N-dimethyl-3-nonyldocosa-13,16-dien-1-amine
SMILESCCCCC/C=C\C/C=C\CCCCCCCCCC(CCCCCCCCC)CCN(C)C
InChIInChI=1S/C33H65N/c1-5-7-9-11-13-14-15-16-17-18-19-20-21-22-24-26-28-30-33(31-32-34(3)4)29-27-25-23-12-10-8-6-2/h13-14,16-17,33H,5-12,15,18-32H2,1-4H3/b14-13-,17-16-
InChIKeySYPDLJYRMSBNEX-AUGURXLVSA-N
MW475.89 g/mol
LogP11.29
Rot. Bonds27

About (13Z,16Z)-N,N-dimethyl-3-nonyldocosa-13,16-dien-1-amine

(13Z,16Z)-N,N-dimethyl-3-nonyldocosa-13,16-dien-1-amine (PubChem CID 56944531) has the molecular formula C33H65N and a molecular weight of 475.89 g/mol. Its IUPAC name is (13Z,16Z)-N,N-dimethyl-3-nonyldocosa-13,16-dien-1-amine.

Molecular Properties

Compound Name(13Z,16Z)-N,N-dimethyl-3-nonyldocosa-13,16-dien-1-amine
PubChem CID56944531
Molecular FormulaC33H65N
Molecular Weight475.89 g/mol
Exact Mass475.51
IUPAC Name(13Z,16Z)-N,N-dimethyl-3-nonyldocosa-13,16-dien-1-amine
SMILESCCCCC/C=C\C/C=C\CCCCCCCCCC(CCCCCCCCC)CCN(C)C
InChIInChI=1S/C33H65N/c1-5-7-9-11-13-14-15-16-17-18-19-20-21-22-24-26-28-30-33(31-32-34(3)4)29-27-25-23-12-10-8-6-2/h13-14,16-17,33H,5-12,15,18-32H2,1-4H3/b14-13-,17-16-
InChIKeySYPDLJYRMSBNEX-AUGURXLVSA-N
XLogP11.29
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds27
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.89
LogP ≤ 511.29
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 (13Z,16Z)-N,N-dimethyl-3-nonyldocosa-13,16-dien-1-amine?
The IUPAC name of (13Z,16Z)-N,N-dimethyl-3-nonyldocosa-13,16-dien-1-amine (CID 56944531) is (13Z,16Z)-N,N-dimethyl-3-nonyldocosa-13,16-dien-1-amine.
What is the SMILES notation for (13Z,16Z)-N,N-dimethyl-3-nonyldocosa-13,16-dien-1-amine?
The canonical SMILES for (13Z,16Z)-N,N-dimethyl-3-nonyldocosa-13,16-dien-1-amine is CCCCC/C=C\C/C=C\CCCCCCCCCC(CCCCCCCCC)CCN(C)C.
What is the InChIKey of (13Z,16Z)-N,N-dimethyl-3-nonyldocosa-13,16-dien-1-amine?
The InChIKey is SYPDLJYRMSBNEX-AUGURXLVSA-N. The full InChI is InChI=1S/C33H65N/c1-5-7-9-11-13-14-15-16-17-18-19-20-21-22-24-26-28-30-33(31-32-34(3)4)29-27-25-23-12-10-8-6-2/h13-14,16-17,33H,5-12,15,18-32H2,1-4H3/b14-13-,17-16-.
What are the key properties of (13Z,16Z)-N,N-dimethyl-3-nonyldocosa-13,16-dien-1-amine?
(13Z,16Z)-N,N-dimethyl-3-nonyldocosa-13,16-dien-1-amine has a molecular weight of 475.89 g/mol, XLogP of 11.29, 27 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (13Z,16Z)-N,N-dimethyl-3-nonyldocosa-13,16-dien-1-amine is sourced from PubChem (CID 56944531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).