(14Z,17Z)-4-(8-propoxyoctyl)tricosa-14,17-dien-1-amine

C34H67NO — CID 170071795

IUPAC(14Z,17Z)-4-(8-propoxyoctyl)tricosa-14,17-dien-1-amine
SMILESCCCCC/C=C\C/C=C\CCCCCCCCCC(CCCN)CCCCCCCCOCCC
InChIInChI=1S/C34H67NO/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-24-28-34(30-27-31-35)29-25-22-19-20-23-26-33-36-32-4-2/h8-9,11-12,34H,3-7,10,13-33,35H2,1-2H3/b9-8-,12-11-
InChIKeyDTCXKCLEGAXECZ-MURFETPASA-N
MW505.92 g/mol
LogP11.09
Rot. Bonds30

About (14Z,17Z)-4-(8-propoxyoctyl)tricosa-14,17-dien-1-amine

(14Z,17Z)-4-(8-propoxyoctyl)tricosa-14,17-dien-1-amine (PubChem CID 170071795) has the molecular formula C34H67NO and a molecular weight of 505.92 g/mol. Its IUPAC name is (14Z,17Z)-4-(8-propoxyoctyl)tricosa-14,17-dien-1-amine.

Molecular Properties

Compound Name(14Z,17Z)-4-(8-propoxyoctyl)tricosa-14,17-dien-1-amine
PubChem CID170071795
Molecular FormulaC34H67NO
Molecular Weight505.92 g/mol
Exact Mass505.52
IUPAC Name(14Z,17Z)-4-(8-propoxyoctyl)tricosa-14,17-dien-1-amine
SMILESCCCCC/C=C\C/C=C\CCCCCCCCCC(CCCN)CCCCCCCCOCCC
InChIInChI=1S/C34H67NO/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-24-28-34(30-27-31-35)29-25-22-19-20-23-26-33-36-32-4-2/h8-9,11-12,34H,3-7,10,13-33,35H2,1-2H3/b9-8-,12-11-
InChIKeyDTCXKCLEGAXECZ-MURFETPASA-N
XLogP11.09
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds30
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500505.92
LogP ≤ 511.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 (14Z,17Z)-4-(8-propoxyoctyl)tricosa-14,17-dien-1-amine?
The IUPAC name of (14Z,17Z)-4-(8-propoxyoctyl)tricosa-14,17-dien-1-amine (CID 170071795) is (14Z,17Z)-4-(8-propoxyoctyl)tricosa-14,17-dien-1-amine.
What is the SMILES notation for (14Z,17Z)-4-(8-propoxyoctyl)tricosa-14,17-dien-1-amine?
The canonical SMILES for (14Z,17Z)-4-(8-propoxyoctyl)tricosa-14,17-dien-1-amine is CCCCC/C=C\C/C=C\CCCCCCCCCC(CCCN)CCCCCCCCOCCC.
What is the InChIKey of (14Z,17Z)-4-(8-propoxyoctyl)tricosa-14,17-dien-1-amine?
The InChIKey is DTCXKCLEGAXECZ-MURFETPASA-N. The full InChI is InChI=1S/C34H67NO/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-24-28-34(30-27-31-35)29-25-22-19-20-23-26-33-36-32-4-2/h8-9,11-12,34H,3-7,10,13-33,35H2,1-2H3/b9-8-,12-11-.
What are the key properties of (14Z,17Z)-4-(8-propoxyoctyl)tricosa-14,17-dien-1-amine?
(14Z,17Z)-4-(8-propoxyoctyl)tricosa-14,17-dien-1-amine has a molecular weight of 505.92 g/mol, XLogP of 11.09, 30 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (14Z,17Z)-4-(8-propoxyoctyl)tricosa-14,17-dien-1-amine is sourced from PubChem (CID 170071795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).