N-methoxy-2,2-dimethylpropan-1-amine;hydrochloride

C6H16ClNO — CID 87537646

IUPACN-methoxy-2,2-dimethylpropan-1-amine;hydrochloride
SMILESCONCC(C)(C)C.Cl
InChIInChI=1S/C6H15NO.ClH/c1-6(2,3)5-7-8-4;/h7H,5H2,1-4H3;1H
InChIKeyGLBVFPAUSVYEQY-UHFFFAOYSA-N
MW153.65 g/mol
LogP1.61
Rot. Bonds2

About N-methoxy-2,2-dimethylpropan-1-amine;hydrochloride

N-methoxy-2,2-dimethylpropan-1-amine;hydrochloride (PubChem CID 87537646) has the molecular formula C6H16ClNO and a molecular weight of 153.65 g/mol. Its IUPAC name is N-methoxy-2,2-dimethylpropan-1-amine;hydrochloride.

Molecular Properties

Compound NameN-methoxy-2,2-dimethylpropan-1-amine;hydrochloride
PubChem CID87537646
Molecular FormulaC6H16ClNO
Molecular Weight153.65 g/mol
Exact Mass153.09
IUPAC NameN-methoxy-2,2-dimethylpropan-1-amine;hydrochloride
SMILESCONCC(C)(C)C.Cl
InChIInChI=1S/C6H15NO.ClH/c1-6(2,3)5-7-8-4;/h7H,5H2,1-4H3;1H
InChIKeyGLBVFPAUSVYEQY-UHFFFAOYSA-N
XLogP1.61
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.65
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-methoxy-2,2-dimethylpropan-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 N-methoxy-2,2-dimethylpropan-1-amine;hydrochloride?
The IUPAC name of N-methoxy-2,2-dimethylpropan-1-amine;hydrochloride (CID 87537646) is N-methoxy-2,2-dimethylpropan-1-amine;hydrochloride.
What is the SMILES notation for N-methoxy-2,2-dimethylpropan-1-amine;hydrochloride?
The canonical SMILES for N-methoxy-2,2-dimethylpropan-1-amine;hydrochloride is CONCC(C)(C)C.Cl.
What is the InChIKey of N-methoxy-2,2-dimethylpropan-1-amine;hydrochloride?
The InChIKey is GLBVFPAUSVYEQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15NO.ClH/c1-6(2,3)5-7-8-4;/h7H,5H2,1-4H3;1H.
What are the key properties of N-methoxy-2,2-dimethylpropan-1-amine;hydrochloride?
N-methoxy-2,2-dimethylpropan-1-amine;hydrochloride has a molecular weight of 153.65 g/mol, XLogP of 1.61, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methoxy-2,2-dimethylpropan-1-amine;hydrochloride is sourced from PubChem (CID 87537646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).