3-[methyl(prop-2-enyl)amino]hexan-1-ol

C10H21NO — CID 91604518

IUPAC3-[methyl(prop-2-enyl)amino]hexan-1-ol
SMILESC=CCN(C)C(CCC)CCO
InChIInChI=1S/C10H21NO/c1-4-6-10(7-9-12)11(3)8-5-2/h5,10,12H,2,4,6-9H2,1,3H3
InChIKeyPLOWASUVMBNYNW-UHFFFAOYSA-N
MW171.28 g/mol
LogP1.66
Rot. Bonds7

About 3-[methyl(prop-2-enyl)amino]hexan-1-ol

3-[methyl(prop-2-enyl)amino]hexan-1-ol (PubChem CID 91604518) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is 3-[methyl(prop-2-enyl)amino]hexan-1-ol.

Molecular Properties

Compound Name3-[methyl(prop-2-enyl)amino]hexan-1-ol
PubChem CID91604518
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC Name3-[methyl(prop-2-enyl)amino]hexan-1-ol
SMILESC=CCN(C)C(CCC)CCO
InChIInChI=1S/C10H21NO/c1-4-6-10(7-9-12)11(3)8-5-2/h5,10,12H,2,4,6-9H2,1,3H3
InChIKeyPLOWASUVMBNYNW-UHFFFAOYSA-N
XLogP1.66
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
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 3-[methyl(prop-2-enyl)amino]hexan-1-ol?
The IUPAC name of 3-[methyl(prop-2-enyl)amino]hexan-1-ol (CID 91604518) is 3-[methyl(prop-2-enyl)amino]hexan-1-ol.
What is the SMILES notation for 3-[methyl(prop-2-enyl)amino]hexan-1-ol?
The canonical SMILES for 3-[methyl(prop-2-enyl)amino]hexan-1-ol is C=CCN(C)C(CCC)CCO.
What is the InChIKey of 3-[methyl(prop-2-enyl)amino]hexan-1-ol?
The InChIKey is PLOWASUVMBNYNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO/c1-4-6-10(7-9-12)11(3)8-5-2/h5,10,12H,2,4,6-9H2,1,3H3.
What are the key properties of 3-[methyl(prop-2-enyl)amino]hexan-1-ol?
3-[methyl(prop-2-enyl)amino]hexan-1-ol has a molecular weight of 171.28 g/mol, XLogP of 1.66, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl(prop-2-enyl)amino]hexan-1-ol is sourced from PubChem (CID 91604518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).