2-methyl-1-(propan-2-ylamino)propan-1-ol;hydrochloride

C7H18ClNO — CID 71342395

IUPAC2-methyl-1-(propan-2-ylamino)propan-1-ol;hydrochloride
SMILESCC(C)NC(O)C(C)C.Cl
InChIInChI=1S/C7H17NO.ClH/c1-5(2)7(9)8-6(3)4;/h5-9H,1-4H3;1H
InChIKeyWUZMUSSGTBFDSV-UHFFFAOYSA-N
MW167.68 g/mol
LogP1.38
Rot. Bonds3

About 2-methyl-1-(propan-2-ylamino)propan-1-ol;hydrochloride

2-methyl-1-(propan-2-ylamino)propan-1-ol;hydrochloride (PubChem CID 71342395) has the molecular formula C7H18ClNO and a molecular weight of 167.68 g/mol. Its IUPAC name is 2-methyl-1-(propan-2-ylamino)propan-1-ol;hydrochloride.

Molecular Properties

Compound Name2-methyl-1-(propan-2-ylamino)propan-1-ol;hydrochloride
PubChem CID71342395
Molecular FormulaC7H18ClNO
Molecular Weight167.68 g/mol
Exact Mass167.11
IUPAC Name2-methyl-1-(propan-2-ylamino)propan-1-ol;hydrochloride
SMILESCC(C)NC(O)C(C)C.Cl
InChIInChI=1S/C7H17NO.ClH/c1-5(2)7(9)8-6(3)4;/h5-9H,1-4H3;1H
InChIKeyWUZMUSSGTBFDSV-UHFFFAOYSA-N
XLogP1.38
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.68
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-methyl-1-(propan-2-ylamino)propan-1-ol;hydrochloride 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 2-methyl-1-(propan-2-ylamino)propan-1-ol;hydrochloride?
The IUPAC name of 2-methyl-1-(propan-2-ylamino)propan-1-ol;hydrochloride (CID 71342395) is 2-methyl-1-(propan-2-ylamino)propan-1-ol;hydrochloride.
What is the SMILES notation for 2-methyl-1-(propan-2-ylamino)propan-1-ol;hydrochloride?
The canonical SMILES for 2-methyl-1-(propan-2-ylamino)propan-1-ol;hydrochloride is CC(C)NC(O)C(C)C.Cl.
What is the InChIKey of 2-methyl-1-(propan-2-ylamino)propan-1-ol;hydrochloride?
The InChIKey is WUZMUSSGTBFDSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17NO.ClH/c1-5(2)7(9)8-6(3)4;/h5-9H,1-4H3;1H.
What are the key properties of 2-methyl-1-(propan-2-ylamino)propan-1-ol;hydrochloride?
2-methyl-1-(propan-2-ylamino)propan-1-ol;hydrochloride has a molecular weight of 167.68 g/mol, XLogP of 1.38, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(propan-2-ylamino)propan-1-ol;hydrochloride is sourced from PubChem (CID 71342395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).