3-tetradec-9-enoxypropan-1-amine;hydrobromide

C17H36BrNO — CID 173150601

IUPAC3-tetradec-9-enoxypropan-1-amine;hydrobromide
SMILESBr.CCCCC=CCCCCCCCCOCCCN
InChIInChI=1S/C17H35NO.BrH/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;1H
InChIKeyLUGZRKWOADHTDI-UHFFFAOYSA-N
MW350.39 g/mol
LogP5.41
Rot. Bonds15

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

3-tetradec-9-enoxypropan-1-amine;hydrobromide (PubChem CID 173150601) has the molecular formula C17H36BrNO and a molecular weight of 350.39 g/mol. Its IUPAC name is 3-tetradec-9-enoxypropan-1-amine;hydrobromide.

Molecular Properties

Compound Name3-tetradec-9-enoxypropan-1-amine;hydrobromide
PubChem CID173150601
Molecular FormulaC17H36BrNO
Molecular Weight350.39 g/mol
Exact Mass349.20
IUPAC Name3-tetradec-9-enoxypropan-1-amine;hydrobromide
SMILESBr.CCCCC=CCCCCCCCCOCCCN
InChIInChI=1S/C17H35NO.BrH/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;1H
InChIKeyLUGZRKWOADHTDI-UHFFFAOYSA-N
XLogP5.41
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.39
LogP ≤ 55.41
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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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 3-tetradec-9-enoxypropan-1-amine;hydrobromide?
The IUPAC name of 3-tetradec-9-enoxypropan-1-amine;hydrobromide (CID 173150601) is 3-tetradec-9-enoxypropan-1-amine;hydrobromide.
What is the SMILES notation for 3-tetradec-9-enoxypropan-1-amine;hydrobromide?
The canonical SMILES for 3-tetradec-9-enoxypropan-1-amine;hydrobromide is Br.CCCCC=CCCCCCCCCOCCCN.
What is the InChIKey of 3-tetradec-9-enoxypropan-1-amine;hydrobromide?
The InChIKey is LUGZRKWOADHTDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35NO.BrH/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;1H.
What are the key properties of 3-tetradec-9-enoxypropan-1-amine;hydrobromide?
3-tetradec-9-enoxypropan-1-amine;hydrobromide has a molecular weight of 350.39 g/mol, XLogP of 5.41, 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;hydrobromide is sourced from PubChem (CID 173150601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).