N-ethyl-2,2-dimethyloxan-4-amine;hydrochloride

C9H20ClNO — CID 119031587

IUPACN-ethyl-2,2-dimethyloxan-4-amine;hydrochloride
SMILESCCNC1CCOC(C)(C)C1.Cl
InChIInChI=1S/C9H19NO.ClH/c1-4-10-8-5-6-11-9(2,3)7-8;/h8,10H,4-7H2,1-3H3;1H
InChIKeyHJDKBQAVSUUAHY-UHFFFAOYSA-N
MW193.72 g/mol
LogP1.98
Rot. Bonds2

About N-ethyl-2,2-dimethyloxan-4-amine;hydrochloride

N-ethyl-2,2-dimethyloxan-4-amine;hydrochloride (PubChem CID 119031587) has the molecular formula C9H20ClNO and a molecular weight of 193.72 g/mol. Its IUPAC name is N-ethyl-2,2-dimethyloxan-4-amine;hydrochloride.

Molecular Properties

Compound NameN-ethyl-2,2-dimethyloxan-4-amine;hydrochloride
PubChem CID119031587
Molecular FormulaC9H20ClNO
Molecular Weight193.72 g/mol
Exact Mass193.12
IUPAC NameN-ethyl-2,2-dimethyloxan-4-amine;hydrochloride
SMILESCCNC1CCOC(C)(C)C1.Cl
InChIInChI=1S/C9H19NO.ClH/c1-4-10-8-5-6-11-9(2,3)7-8;/h8,10H,4-7H2,1-3H3;1H
InChIKeyHJDKBQAVSUUAHY-UHFFFAOYSA-N
XLogP1.98
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.72
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-ethyl-2,2-dimethyloxan-4-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

Related Compounds

2,2-Dimethyloxan-4-amine hydrochloride
CID 67124190
2-[2-(Tert-butoxy)ethyl]piperidine
CID 10797616
N,2,2-trimethyltetrahydro-2H-pyran-4-amine
CID 13764667
N-ethyl-2,2-dimethyloxan-4-amine
CID 45791211
N-(2,2-dimethyloxan-4-yl)acetamide
CID 89959667
2,2-dimethyltetrahydro-2H-pyran-4-aminium chloride
CID 86675380
N,2,2-trimethyloxan-4-aminehydrochloride
CID 141410410
N-(2,2-dimethyltetrahydro-2h-pyran-4-yl)-N-methylpropane-1,3-diamine
CID 115318769
2,2-dimethyl-N-(3,3,3-trifluoropropyl)oxan-4-amine
CID 64102495
2,2-dimethyl-N-(2,2,2-trifluoroethyl)oxan-4-amine
CID 64106294
2,2-dimethyl-N-propyl-4-(trifluoromethyl)oxan-4-amine
CID 66204160
N-ethyl-2,2-dimethyl-4-(trifluoromethyl)oxan-4-amine
CID 66206183

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2,2-dimethyloxan-4-amine;hydrochloride?
The IUPAC name of N-ethyl-2,2-dimethyloxan-4-amine;hydrochloride (CID 119031587) is N-ethyl-2,2-dimethyloxan-4-amine;hydrochloride.
What is the SMILES notation for N-ethyl-2,2-dimethyloxan-4-amine;hydrochloride?
The canonical SMILES for N-ethyl-2,2-dimethyloxan-4-amine;hydrochloride is CCNC1CCOC(C)(C)C1.Cl.
What is the InChIKey of N-ethyl-2,2-dimethyloxan-4-amine;hydrochloride?
The InChIKey is HJDKBQAVSUUAHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO.ClH/c1-4-10-8-5-6-11-9(2,3)7-8;/h8,10H,4-7H2,1-3H3;1H.
What are the key properties of N-ethyl-2,2-dimethyloxan-4-amine;hydrochloride?
N-ethyl-2,2-dimethyloxan-4-amine;hydrochloride has a molecular weight of 193.72 g/mol, XLogP of 1.98, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2,2-dimethyloxan-4-amine;hydrochloride is sourced from PubChem (CID 119031587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).