2-[hept-6-enyl(pentan-3-yl)amino]ethanol

C14H29NO — CID 107010089

IUPAC2-[hept-6-enyl(pentan-3-yl)amino]ethanol
SMILESC=CCCCCCN(CCO)C(CC)CC
InChIInChI=1S/C14H29NO/c1-4-7-8-9-10-11-15(12-13-16)14(5-2)6-3/h4,14,16H,1,5-13H2,2-3H3
InChIKeyYBWRUMXIXNWPJG-UHFFFAOYSA-N
MW227.39 g/mol
LogP3.22
Rot. Bonds11

About 2-[hept-6-enyl(pentan-3-yl)amino]ethanol

2-[hept-6-enyl(pentan-3-yl)amino]ethanol (PubChem CID 107010089) has the molecular formula C14H29NO and a molecular weight of 227.39 g/mol. Its IUPAC name is 2-[hept-6-enyl(pentan-3-yl)amino]ethanol.

Molecular Properties

Compound Name2-[hept-6-enyl(pentan-3-yl)amino]ethanol
PubChem CID107010089
Molecular FormulaC14H29NO
Molecular Weight227.39 g/mol
Exact Mass227.22
IUPAC Name2-[hept-6-enyl(pentan-3-yl)amino]ethanol
SMILESC=CCCCCCN(CCO)C(CC)CC
InChIInChI=1S/C14H29NO/c1-4-7-8-9-10-11-15(12-13-16)14(5-2)6-3/h4,14,16H,1,5-13H2,2-3H3
InChIKeyYBWRUMXIXNWPJG-UHFFFAOYSA-N
XLogP3.22
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.39
LogP ≤ 53.22
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 2-[hept-6-enyl(pentan-3-yl)amino]ethanol?
The IUPAC name of 2-[hept-6-enyl(pentan-3-yl)amino]ethanol (CID 107010089) is 2-[hept-6-enyl(pentan-3-yl)amino]ethanol.
What is the SMILES notation for 2-[hept-6-enyl(pentan-3-yl)amino]ethanol?
The canonical SMILES for 2-[hept-6-enyl(pentan-3-yl)amino]ethanol is C=CCCCCCN(CCO)C(CC)CC.
What is the InChIKey of 2-[hept-6-enyl(pentan-3-yl)amino]ethanol?
The InChIKey is YBWRUMXIXNWPJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO/c1-4-7-8-9-10-11-15(12-13-16)14(5-2)6-3/h4,14,16H,1,5-13H2,2-3H3.
What are the key properties of 2-[hept-6-enyl(pentan-3-yl)amino]ethanol?
2-[hept-6-enyl(pentan-3-yl)amino]ethanol has a molecular weight of 227.39 g/mol, XLogP of 3.22, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[hept-6-enyl(pentan-3-yl)amino]ethanol is sourced from PubChem (CID 107010089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).