1-[methyl(propyl)amino]hex-4-en-2-ol

C10H21NO — CID 123404787

IUPAC1-[methyl(propyl)amino]hex-4-en-2-ol
SMILESCC=CCC(O)CN(C)CCC
InChIInChI=1S/C10H21NO/c1-4-6-7-10(12)9-11(3)8-5-2/h4,6,10,12H,5,7-9H2,1-3H3
InChIKeyHPSOFNMEOHQMLK-UHFFFAOYSA-N
MW171.28 g/mol
LogP1.66
Rot. Bonds6

About 1-[methyl(propyl)amino]hex-4-en-2-ol

1-[methyl(propyl)amino]hex-4-en-2-ol (PubChem CID 123404787) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is 1-[methyl(propyl)amino]hex-4-en-2-ol.

Molecular Properties

Compound Name1-[methyl(propyl)amino]hex-4-en-2-ol
PubChem CID123404787
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC Name1-[methyl(propyl)amino]hex-4-en-2-ol
SMILESCC=CCC(O)CN(C)CCC
InChIInChI=1S/C10H21NO/c1-4-6-7-10(12)9-11(3)8-5-2/h4,6,10,12H,5,7-9H2,1-3H3
InChIKeyHPSOFNMEOHQMLK-UHFFFAOYSA-N
XLogP1.66
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.28
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[methyl(propyl)amino]hex-4-en-2-ol?
The IUPAC name of 1-[methyl(propyl)amino]hex-4-en-2-ol (CID 123404787) is 1-[methyl(propyl)amino]hex-4-en-2-ol.
What is the SMILES notation for 1-[methyl(propyl)amino]hex-4-en-2-ol?
The canonical SMILES for 1-[methyl(propyl)amino]hex-4-en-2-ol is CC=CCC(O)CN(C)CCC.
What is the InChIKey of 1-[methyl(propyl)amino]hex-4-en-2-ol?
The InChIKey is HPSOFNMEOHQMLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO/c1-4-6-7-10(12)9-11(3)8-5-2/h4,6,10,12H,5,7-9H2,1-3H3.
What are the key properties of 1-[methyl(propyl)amino]hex-4-en-2-ol?
1-[methyl(propyl)amino]hex-4-en-2-ol has a molecular weight of 171.28 g/mol, XLogP of 1.66, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[methyl(propyl)amino]hex-4-en-2-ol is sourced from PubChem (CID 123404787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).