1-(5-methylhexylamino)propan-2-ol

C10H23NO — CID 115325577

IUPAC1-(5-methylhexylamino)propan-2-ol
SMILESCC(C)CCCCNCC(C)O
InChIInChI=1S/C10H23NO/c1-9(2)6-4-5-7-11-8-10(3)12/h9-12H,4-8H2,1-3H3
InChIKeyFCMJRJSQPOKNLB-UHFFFAOYSA-N
MW173.30 g/mol
LogP1.78
Rot. Bonds7

About 1-(5-methylhexylamino)propan-2-ol

1-(5-methylhexylamino)propan-2-ol (PubChem CID 115325577) has the molecular formula C10H23NO and a molecular weight of 173.30 g/mol. Its IUPAC name is 1-(5-methylhexylamino)propan-2-ol.

Molecular Properties

Compound Name1-(5-methylhexylamino)propan-2-ol
PubChem CID115325577
Molecular FormulaC10H23NO
Molecular Weight173.30 g/mol
Exact Mass173.18
IUPAC Name1-(5-methylhexylamino)propan-2-ol
SMILESCC(C)CCCCNCC(C)O
InChIInChI=1S/C10H23NO/c1-9(2)6-4-5-7-11-8-10(3)12/h9-12H,4-8H2,1-3H3
InChIKeyFCMJRJSQPOKNLB-UHFFFAOYSA-N
XLogP1.78
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.30
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-(5-methylhexylamino)propan-2-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-(5-methylhexylamino)propan-2-ol?
The IUPAC name of 1-(5-methylhexylamino)propan-2-ol (CID 115325577) is 1-(5-methylhexylamino)propan-2-ol.
What is the SMILES notation for 1-(5-methylhexylamino)propan-2-ol?
The canonical SMILES for 1-(5-methylhexylamino)propan-2-ol is CC(C)CCCCNCC(C)O.
What is the InChIKey of 1-(5-methylhexylamino)propan-2-ol?
The InChIKey is FCMJRJSQPOKNLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23NO/c1-9(2)6-4-5-7-11-8-10(3)12/h9-12H,4-8H2,1-3H3.
What are the key properties of 1-(5-methylhexylamino)propan-2-ol?
1-(5-methylhexylamino)propan-2-ol has a molecular weight of 173.30 g/mol, XLogP of 1.78, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methylhexylamino)propan-2-ol is sourced from PubChem (CID 115325577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).