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

C10H21NO — CID 10877584

IUPAC6-[methyl(prop-2-enyl)amino]hexan-1-ol
SMILESC=CCN(C)CCCCCCO
InChIInChI=1S/C10H21NO/c1-3-8-11(2)9-6-4-5-7-10-12/h3,12H,1,4-10H2,2H3
InChIKeyFCAWWDRXCLODHX-UHFFFAOYSA-N
MW171.28 g/mol
LogP1.66
Rot. Bonds8

About 6-[methyl(prop-2-enyl)amino]hexan-1-ol

6-[methyl(prop-2-enyl)amino]hexan-1-ol (PubChem CID 10877584) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is 6-[methyl(prop-2-enyl)amino]hexan-1-ol.

Molecular Properties

Compound Name6-[methyl(prop-2-enyl)amino]hexan-1-ol
PubChem CID10877584
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC Name6-[methyl(prop-2-enyl)amino]hexan-1-ol
SMILESC=CCN(C)CCCCCCO
InChIInChI=1S/C10H21NO/c1-3-8-11(2)9-6-4-5-7-10-12/h3,12H,1,4-10H2,2H3
InChIKeyFCAWWDRXCLODHX-UHFFFAOYSA-N
XLogP1.66
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
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': '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 6-[methyl(prop-2-enyl)amino]hexan-1-ol?
The IUPAC name of 6-[methyl(prop-2-enyl)amino]hexan-1-ol (CID 10877584) is 6-[methyl(prop-2-enyl)amino]hexan-1-ol.
What is the SMILES notation for 6-[methyl(prop-2-enyl)amino]hexan-1-ol?
The canonical SMILES for 6-[methyl(prop-2-enyl)amino]hexan-1-ol is C=CCN(C)CCCCCCO.
What is the InChIKey of 6-[methyl(prop-2-enyl)amino]hexan-1-ol?
The InChIKey is FCAWWDRXCLODHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO/c1-3-8-11(2)9-6-4-5-7-10-12/h3,12H,1,4-10H2,2H3.
What are the key properties of 6-[methyl(prop-2-enyl)amino]hexan-1-ol?
6-[methyl(prop-2-enyl)amino]hexan-1-ol has a molecular weight of 171.28 g/mol, XLogP of 1.66, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[methyl(prop-2-enyl)amino]hexan-1-ol is sourced from PubChem (CID 10877584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).