2,2-dimethyl-3-[(2-methylpropan-2-yl)oxy]propan-1-amine;hydrochloride

C9H22ClNO — CID 167735596

IUPAC2,2-dimethyl-3-[(2-methylpropan-2-yl)oxy]propan-1-amine;hydrochloride
SMILESCC(C)(CN)COC(C)(C)C.Cl
InChIInChI=1S/C9H21NO.ClH/c1-8(2,3)11-7-9(4,5)6-10;/h6-7,10H2,1-5H3;1H
InChIKeyLDCLFLUGHRAKTM-UHFFFAOYSA-N
MW195.73 g/mol
LogP2.21
Rot. Bonds3

About 2,2-dimethyl-3-[(2-methylpropan-2-yl)oxy]propan-1-amine;hydrochloride

2,2-dimethyl-3-[(2-methylpropan-2-yl)oxy]propan-1-amine;hydrochloride (PubChem CID 167735596) has the molecular formula C9H22ClNO and a molecular weight of 195.73 g/mol. Its IUPAC name is 2,2-dimethyl-3-[(2-methylpropan-2-yl)oxy]propan-1-amine;hydrochloride.

Molecular Properties

Compound Name2,2-dimethyl-3-[(2-methylpropan-2-yl)oxy]propan-1-amine;hydrochloride
PubChem CID167735596
Molecular FormulaC9H22ClNO
Molecular Weight195.73 g/mol
Exact Mass195.14
IUPAC Name2,2-dimethyl-3-[(2-methylpropan-2-yl)oxy]propan-1-amine;hydrochloride
SMILESCC(C)(CN)COC(C)(C)C.Cl
InChIInChI=1S/C9H21NO.ClH/c1-8(2,3)11-7-9(4,5)6-10;/h6-7,10H2,1-5H3;1H
InChIKeyLDCLFLUGHRAKTM-UHFFFAOYSA-N
XLogP2.21
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.73
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(Tert-butoxy)propan-1-amine
CID 16218572
3-Methoxy-2,2-dimethylpropan-1-amine hydrochloride
CID 46782157
2,2-Dimethyl-3-(propan-2-yloxy)propan-1-amine
CID 58303729
3-(2,2-Dimethylpropoxy)propan-1-amine
CID 71773694
3-Ethoxy-2,2-dimethylpropan-1-amine
CID 79621160
3-(Tert-butoxy)-2,2-dimethylpropan-1-amine
CID 79628560
3-(3-Fluoro-2,2-dimethylpropoxy)-2,2-dimethylpropan-1-amine
CID 143693523
(2R)-3-(tert-butoxy)-2-methylpropan-1-amine
CID 55285450
3-(Tert-butoxy)-2-methylpropan-1-amine
CID 20230568
3-[(2-Methylbutan-2-yl)oxy]propan-1-amine
CID 28996276
3-(tert-Butoxy)propylamine hydrochloride
CID 53399017
2,2-Dimethyl-3-(2-methylpropoxy)propan-1-amine
CID 79620376

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-[(2-methylpropan-2-yl)oxy]propan-1-amine;hydrochloride?
The IUPAC name of 2,2-dimethyl-3-[(2-methylpropan-2-yl)oxy]propan-1-amine;hydrochloride (CID 167735596) is 2,2-dimethyl-3-[(2-methylpropan-2-yl)oxy]propan-1-amine;hydrochloride.
What is the SMILES notation for 2,2-dimethyl-3-[(2-methylpropan-2-yl)oxy]propan-1-amine;hydrochloride?
The canonical SMILES for 2,2-dimethyl-3-[(2-methylpropan-2-yl)oxy]propan-1-amine;hydrochloride is CC(C)(CN)COC(C)(C)C.Cl.
What is the InChIKey of 2,2-dimethyl-3-[(2-methylpropan-2-yl)oxy]propan-1-amine;hydrochloride?
The InChIKey is LDCLFLUGHRAKTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21NO.ClH/c1-8(2,3)11-7-9(4,5)6-10;/h6-7,10H2,1-5H3;1H.
What are the key properties of 2,2-dimethyl-3-[(2-methylpropan-2-yl)oxy]propan-1-amine;hydrochloride?
2,2-dimethyl-3-[(2-methylpropan-2-yl)oxy]propan-1-amine;hydrochloride has a molecular weight of 195.73 g/mol, XLogP of 2.21, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-[(2-methylpropan-2-yl)oxy]propan-1-amine;hydrochloride is sourced from PubChem (CID 167735596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).