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

C10H22BrNO — CID 18434343

IUPAC6-[methyl(prop-2-enyl)amino]hexan-1-ol;hydrobromide
SMILESBr.C=CCN(C)CCCCCCO
InChIInChI=1S/C10H21NO.BrH/c1-3-8-11(2)9-6-4-5-7-10-12;/h3,12H,1,4-10H2,2H3;1H
InChIKeyCHLZSIYWFZJQFZ-UHFFFAOYSA-N
MW252.20 g/mol
LogP2.23
Rot. Bonds8

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

6-[methyl(prop-2-enyl)amino]hexan-1-ol;hydrobromide (PubChem CID 18434343) has the molecular formula C10H22BrNO and a molecular weight of 252.20 g/mol. Its IUPAC name is 6-[methyl(prop-2-enyl)amino]hexan-1-ol;hydrobromide.

Molecular Properties

Compound Name6-[methyl(prop-2-enyl)amino]hexan-1-ol;hydrobromide
PubChem CID18434343
Molecular FormulaC10H22BrNO
Molecular Weight252.20 g/mol
Exact Mass251.09
IUPAC Name6-[methyl(prop-2-enyl)amino]hexan-1-ol;hydrobromide
SMILESBr.C=CCN(C)CCCCCCO
InChIInChI=1S/C10H21NO.BrH/c1-3-8-11(2)9-6-4-5-7-10-12;/h3,12H,1,4-10H2,2H3;1H
InChIKeyCHLZSIYWFZJQFZ-UHFFFAOYSA-N
XLogP2.23
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.20
LogP ≤ 52.23
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'}

Analyze 6-[methyl(prop-2-enyl)amino]hexan-1-ol;hydrobromide 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 6-[methyl(prop-2-enyl)amino]hexan-1-ol;hydrobromide?
The IUPAC name of 6-[methyl(prop-2-enyl)amino]hexan-1-ol;hydrobromide (CID 18434343) is 6-[methyl(prop-2-enyl)amino]hexan-1-ol;hydrobromide.
What is the SMILES notation for 6-[methyl(prop-2-enyl)amino]hexan-1-ol;hydrobromide?
The canonical SMILES for 6-[methyl(prop-2-enyl)amino]hexan-1-ol;hydrobromide is Br.C=CCN(C)CCCCCCO.
What is the InChIKey of 6-[methyl(prop-2-enyl)amino]hexan-1-ol;hydrobromide?
The InChIKey is CHLZSIYWFZJQFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO.BrH/c1-3-8-11(2)9-6-4-5-7-10-12;/h3,12H,1,4-10H2,2H3;1H.
What are the key properties of 6-[methyl(prop-2-enyl)amino]hexan-1-ol;hydrobromide?
6-[methyl(prop-2-enyl)amino]hexan-1-ol;hydrobromide has a molecular weight of 252.20 g/mol, XLogP of 2.23, 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;hydrobromide is sourced from PubChem (CID 18434343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).