3-tetradec-9-enoxypropan-1-amine

C17H35NO — CID 87704596

IUPAC3-tetradec-9-enoxypropan-1-amine
SMILESCCCCC=CCCCCCCCCOCCCN
InChIInChI=1S/C17H35NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-19-17-14-15-18/h5-6H,2-4,7-18H2,1H3
InChIKeyIJPDQSFDOSFNTL-UHFFFAOYSA-N
MW269.47 g/mol
LogP4.83
Rot. Bonds15

About 3-tetradec-9-enoxypropan-1-amine

3-tetradec-9-enoxypropan-1-amine (PubChem CID 87704596) has the molecular formula C17H35NO and a molecular weight of 269.47 g/mol. Its IUPAC name is 3-tetradec-9-enoxypropan-1-amine.

Molecular Properties

Compound Name3-tetradec-9-enoxypropan-1-amine
PubChem CID87704596
Molecular FormulaC17H35NO
Molecular Weight269.47 g/mol
Exact Mass269.27
IUPAC Name3-tetradec-9-enoxypropan-1-amine
SMILESCCCCC=CCCCCCCCCOCCCN
InChIInChI=1S/C17H35NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-19-17-14-15-18/h5-6H,2-4,7-18H2,1H3
InChIKeyIJPDQSFDOSFNTL-UHFFFAOYSA-N
XLogP4.83
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.47
LogP ≤ 54.83
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 3-tetradec-9-enoxypropan-1-amine?
The IUPAC name of 3-tetradec-9-enoxypropan-1-amine (CID 87704596) is 3-tetradec-9-enoxypropan-1-amine.
What is the SMILES notation for 3-tetradec-9-enoxypropan-1-amine?
The canonical SMILES for 3-tetradec-9-enoxypropan-1-amine is CCCCC=CCCCCCCCCOCCCN.
What is the InChIKey of 3-tetradec-9-enoxypropan-1-amine?
The InChIKey is IJPDQSFDOSFNTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-19-17-14-15-18/h5-6H,2-4,7-18H2,1H3.
What are the key properties of 3-tetradec-9-enoxypropan-1-amine?
3-tetradec-9-enoxypropan-1-amine has a molecular weight of 269.47 g/mol, XLogP of 4.83, 15 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tetradec-9-enoxypropan-1-amine is sourced from PubChem (CID 87704596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).