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

C10H21NO — CID 18434083

IUPAC1-[methyl(prop-2-enyl)amino]hexan-1-ol
SMILESC=CCN(C)C(O)CCCCC
InChIInChI=1S/C10H21NO/c1-4-6-7-8-10(12)11(3)9-5-2/h5,10,12H,2,4,6-9H2,1,3H3
InChIKeyBQKGKUBIHGBYSQ-UHFFFAOYSA-N
MW171.28 g/mol
LogP2.00
Rot. Bonds7

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

1-[methyl(prop-2-enyl)amino]hexan-1-ol (PubChem CID 18434083) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is 1-[methyl(prop-2-enyl)amino]hexan-1-ol.

Molecular Properties

Compound Name1-[methyl(prop-2-enyl)amino]hexan-1-ol
PubChem CID18434083
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC Name1-[methyl(prop-2-enyl)amino]hexan-1-ol
SMILESC=CCN(C)C(O)CCCCC
InChIInChI=1S/C10H21NO/c1-4-6-7-8-10(12)11(3)9-5-2/h5,10,12H,2,4,6-9H2,1,3H3
InChIKeyBQKGKUBIHGBYSQ-UHFFFAOYSA-N
XLogP2.00
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 ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 1-[methyl(prop-2-enyl)amino]hexan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[methyl(prop-2-enyl)amino]hexan-1-ol?
The IUPAC name of 1-[methyl(prop-2-enyl)amino]hexan-1-ol (CID 18434083) is 1-[methyl(prop-2-enyl)amino]hexan-1-ol.
What is the SMILES notation for 1-[methyl(prop-2-enyl)amino]hexan-1-ol?
The canonical SMILES for 1-[methyl(prop-2-enyl)amino]hexan-1-ol is C=CCN(C)C(O)CCCCC.
What is the InChIKey of 1-[methyl(prop-2-enyl)amino]hexan-1-ol?
The InChIKey is BQKGKUBIHGBYSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO/c1-4-6-7-8-10(12)11(3)9-5-2/h5,10,12H,2,4,6-9H2,1,3H3.
What are the key properties of 1-[methyl(prop-2-enyl)amino]hexan-1-ol?
1-[methyl(prop-2-enyl)amino]hexan-1-ol has a molecular weight of 171.28 g/mol, XLogP of 2.00, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[methyl(prop-2-enyl)amino]hexan-1-ol is sourced from PubChem (CID 18434083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).