2-(hept-6-enylamino)propan-1-ol

C10H21NO — CID 107006572

IUPAC2-(hept-6-enylamino)propan-1-ol
SMILESC=CCCCCCNC(C)CO
InChIInChI=1S/C10H21NO/c1-3-4-5-6-7-8-11-10(2)9-12/h3,10-12H,1,4-9H2,2H3
InChIKeyWXEXEWYSRGWVGZ-UHFFFAOYSA-N
MW171.28 g/mol
LogP1.70
Rot. Bonds8

About 2-(hept-6-enylamino)propan-1-ol

2-(hept-6-enylamino)propan-1-ol (PubChem CID 107006572) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is 2-(hept-6-enylamino)propan-1-ol.

Molecular Properties

Compound Name2-(hept-6-enylamino)propan-1-ol
PubChem CID107006572
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC Name2-(hept-6-enylamino)propan-1-ol
SMILESC=CCCCCCNC(C)CO
InChIInChI=1S/C10H21NO/c1-3-4-5-6-7-8-11-10(2)9-12/h3,10-12H,1,4-9H2,2H3
InChIKeyWXEXEWYSRGWVGZ-UHFFFAOYSA-N
XLogP1.70
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.28
LogP ≤ 51.70
H-Bond Donors ≤ 52
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 2-(hept-6-enylamino)propan-1-ol?
The IUPAC name of 2-(hept-6-enylamino)propan-1-ol (CID 107006572) is 2-(hept-6-enylamino)propan-1-ol.
What is the SMILES notation for 2-(hept-6-enylamino)propan-1-ol?
The canonical SMILES for 2-(hept-6-enylamino)propan-1-ol is C=CCCCCCNC(C)CO.
What is the InChIKey of 2-(hept-6-enylamino)propan-1-ol?
The InChIKey is WXEXEWYSRGWVGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO/c1-3-4-5-6-7-8-11-10(2)9-12/h3,10-12H,1,4-9H2,2H3.
What are the key properties of 2-(hept-6-enylamino)propan-1-ol?
2-(hept-6-enylamino)propan-1-ol has a molecular weight of 171.28 g/mol, XLogP of 1.70, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hept-6-enylamino)propan-1-ol is sourced from PubChem (CID 107006572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).