3-methoxy-N,2,2-trimethylpropan-1-amine;hydrochloride

C7H18ClNO — CID 71757519

IUPAC3-methoxy-N,2,2-trimethylpropan-1-amine;hydrochloride
SMILESCNCC(C)(C)COC.Cl
InChIInChI=1S/C7H17NO.ClH/c1-7(2,5-8-3)6-9-4;/h8H,5-6H2,1-4H3;1H
InChIKeyBGPZUOAOWRKZQF-UHFFFAOYSA-N
MW167.68 g/mol
LogP1.30
Rot. Bonds4

About 3-methoxy-N,2,2-trimethylpropan-1-amine;hydrochloride

3-methoxy-N,2,2-trimethylpropan-1-amine;hydrochloride (PubChem CID 71757519) has the molecular formula C7H18ClNO and a molecular weight of 167.68 g/mol. Its IUPAC name is 3-methoxy-N,2,2-trimethylpropan-1-amine;hydrochloride.

Molecular Properties

Compound Name3-methoxy-N,2,2-trimethylpropan-1-amine;hydrochloride
PubChem CID71757519
Molecular FormulaC7H18ClNO
Molecular Weight167.68 g/mol
Exact Mass167.11
IUPAC Name3-methoxy-N,2,2-trimethylpropan-1-amine;hydrochloride
SMILESCNCC(C)(C)COC.Cl
InChIInChI=1S/C7H17NO.ClH/c1-7(2,5-8-3)6-9-4;/h8H,5-6H2,1-4H3;1H
InChIKeyBGPZUOAOWRKZQF-UHFFFAOYSA-N
XLogP1.30
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.68
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-methoxy-N,2,2-trimethylpropan-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 3-methoxy-N,2,2-trimethylpropan-1-amine;hydrochloride?
The IUPAC name of 3-methoxy-N,2,2-trimethylpropan-1-amine;hydrochloride (CID 71757519) is 3-methoxy-N,2,2-trimethylpropan-1-amine;hydrochloride.
What is the SMILES notation for 3-methoxy-N,2,2-trimethylpropan-1-amine;hydrochloride?
The canonical SMILES for 3-methoxy-N,2,2-trimethylpropan-1-amine;hydrochloride is CNCC(C)(C)COC.Cl.
What is the InChIKey of 3-methoxy-N,2,2-trimethylpropan-1-amine;hydrochloride?
The InChIKey is BGPZUOAOWRKZQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17NO.ClH/c1-7(2,5-8-3)6-9-4;/h8H,5-6H2,1-4H3;1H.
What are the key properties of 3-methoxy-N,2,2-trimethylpropan-1-amine;hydrochloride?
3-methoxy-N,2,2-trimethylpropan-1-amine;hydrochloride has a molecular weight of 167.68 g/mol, XLogP of 1.30, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N,2,2-trimethylpropan-1-amine;hydrochloride is sourced from PubChem (CID 71757519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).