2-[(2-methylpropan-2-yl)oxy]cyclohexan-1-amine;hydrochloride

C10H22ClNO — CID 172642150

IUPAC2-[(2-methylpropan-2-yl)oxy]cyclohexan-1-amine;hydrochloride
SMILESCC(C)(C)OC1CCCCC1N.Cl
InChIInChI=1S/C10H21NO.ClH/c1-10(2,3)12-9-7-5-4-6-8(9)11;/h8-9H,4-7,11H2,1-3H3;1H
InChIKeyPRVPWKLKEFFCHG-UHFFFAOYSA-N
MW207.74 g/mol
LogP2.49
Rot. Bonds1

About 2-[(2-methylpropan-2-yl)oxy]cyclohexan-1-amine;hydrochloride

2-[(2-methylpropan-2-yl)oxy]cyclohexan-1-amine;hydrochloride (PubChem CID 172642150) has the molecular formula C10H22ClNO and a molecular weight of 207.74 g/mol. Its IUPAC name is 2-[(2-methylpropan-2-yl)oxy]cyclohexan-1-amine;hydrochloride.

Molecular Properties

Compound Name2-[(2-methylpropan-2-yl)oxy]cyclohexan-1-amine;hydrochloride
PubChem CID172642150
Molecular FormulaC10H22ClNO
Molecular Weight207.74 g/mol
Exact Mass207.14
IUPAC Name2-[(2-methylpropan-2-yl)oxy]cyclohexan-1-amine;hydrochloride
SMILESCC(C)(C)OC1CCCCC1N.Cl
InChIInChI=1S/C10H21NO.ClH/c1-10(2,3)12-9-7-5-4-6-8(9)11;/h8-9H,4-7,11H2,1-3H3;1H
InChIKeyPRVPWKLKEFFCHG-UHFFFAOYSA-N
XLogP2.49
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.74
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[(2-methylpropan-2-yl)oxy]cyclohexan-1-amine;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-[(2-methylpropan-2-yl)oxy]cyclohexan-1-amine;hydrochloride?
The IUPAC name of 2-[(2-methylpropan-2-yl)oxy]cyclohexan-1-amine;hydrochloride (CID 172642150) is 2-[(2-methylpropan-2-yl)oxy]cyclohexan-1-amine;hydrochloride.
What is the SMILES notation for 2-[(2-methylpropan-2-yl)oxy]cyclohexan-1-amine;hydrochloride?
The canonical SMILES for 2-[(2-methylpropan-2-yl)oxy]cyclohexan-1-amine;hydrochloride is CC(C)(C)OC1CCCCC1N.Cl.
What is the InChIKey of 2-[(2-methylpropan-2-yl)oxy]cyclohexan-1-amine;hydrochloride?
The InChIKey is PRVPWKLKEFFCHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO.ClH/c1-10(2,3)12-9-7-5-4-6-8(9)11;/h8-9H,4-7,11H2,1-3H3;1H.
What are the key properties of 2-[(2-methylpropan-2-yl)oxy]cyclohexan-1-amine;hydrochloride?
2-[(2-methylpropan-2-yl)oxy]cyclohexan-1-amine;hydrochloride has a molecular weight of 207.74 g/mol, XLogP of 2.49, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methylpropan-2-yl)oxy]cyclohexan-1-amine;hydrochloride is sourced from PubChem (CID 172642150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).