8-heptadecan-9-yloxy-N-heptylnon-8-en-1-amine

C33H67NO — CID 142599436

IUPAC8-heptadecan-9-yloxy-N-heptylnon-8-en-1-amine
SMILESC=C(CCCCCCCNCCCCCCC)OC(CCCCCCCC)CCCCCCCC
InChIInChI=1S/C33H67NO/c1-5-8-11-14-18-23-28-33(29-24-19-15-12-9-6-2)35-32(4)27-22-17-16-21-26-31-34-30-25-20-13-10-7-3/h33-34H,4-31H2,1-3H3
InChIKeyDEPYFHPFDVLNAC-UHFFFAOYSA-N
MW493.91 g/mol
LogP11.29
Rot. Bonds30

About 8-heptadecan-9-yloxy-N-heptylnon-8-en-1-amine

8-heptadecan-9-yloxy-N-heptylnon-8-en-1-amine (PubChem CID 142599436) has the molecular formula C33H67NO and a molecular weight of 493.91 g/mol. Its IUPAC name is 8-heptadecan-9-yloxy-N-heptylnon-8-en-1-amine.

Molecular Properties

Compound Name8-heptadecan-9-yloxy-N-heptylnon-8-en-1-amine
PubChem CID142599436
Molecular FormulaC33H67NO
Molecular Weight493.91 g/mol
Exact Mass493.52
IUPAC Name8-heptadecan-9-yloxy-N-heptylnon-8-en-1-amine
SMILESC=C(CCCCCCCNCCCCCCC)OC(CCCCCCCC)CCCCCCCC
InChIInChI=1S/C33H67NO/c1-5-8-11-14-18-23-28-33(29-24-19-15-12-9-6-2)35-32(4)27-22-17-16-21-26-31-34-30-25-20-13-10-7-3/h33-34H,4-31H2,1-3H3
InChIKeyDEPYFHPFDVLNAC-UHFFFAOYSA-N
XLogP11.29
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds30
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500493.91
LogP ≤ 511.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

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CID 145405651
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CID 153552012
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CID 155016930
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CID 155642638
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CID 156097639
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CID 156315785

Frequently Asked Questions

What is the IUPAC name of 8-heptadecan-9-yloxy-N-heptylnon-8-en-1-amine?
The IUPAC name of 8-heptadecan-9-yloxy-N-heptylnon-8-en-1-amine (CID 142599436) is 8-heptadecan-9-yloxy-N-heptylnon-8-en-1-amine.
What is the SMILES notation for 8-heptadecan-9-yloxy-N-heptylnon-8-en-1-amine?
The canonical SMILES for 8-heptadecan-9-yloxy-N-heptylnon-8-en-1-amine is C=C(CCCCCCCNCCCCCCC)OC(CCCCCCCC)CCCCCCCC.
What is the InChIKey of 8-heptadecan-9-yloxy-N-heptylnon-8-en-1-amine?
The InChIKey is DEPYFHPFDVLNAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H67NO/c1-5-8-11-14-18-23-28-33(29-24-19-15-12-9-6-2)35-32(4)27-22-17-16-21-26-31-34-30-25-20-13-10-7-3/h33-34H,4-31H2,1-3H3.
What are the key properties of 8-heptadecan-9-yloxy-N-heptylnon-8-en-1-amine?
8-heptadecan-9-yloxy-N-heptylnon-8-en-1-amine has a molecular weight of 493.91 g/mol, XLogP of 11.29, 30 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-heptadecan-9-yloxy-N-heptylnon-8-en-1-amine is sourced from PubChem (CID 142599436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).