2-N,2-N-dimethyloxane-2,4-diamine;hydrochloride

C7H17ClN2O — CID 156905355

IUPAC2-N,2-N-dimethyloxane-2,4-diamine;hydrochloride
SMILESCN(C)C1CC(N)CCO1.Cl
InChIInChI=1S/C7H16N2O.ClH/c1-9(2)7-5-6(8)3-4-10-7;/h6-7H,3-5,8H2,1-2H3;1H
InChIKeyHMCWZUMQTYTCHF-UHFFFAOYSA-N
MW180.68 g/mol
LogP0.43
Rot. Bonds1

About 2-N,2-N-dimethyloxane-2,4-diamine;hydrochloride

2-N,2-N-dimethyloxane-2,4-diamine;hydrochloride (PubChem CID 156905355) has the molecular formula C7H17ClN2O and a molecular weight of 180.68 g/mol. Its IUPAC name is 2-N,2-N-dimethyloxane-2,4-diamine;hydrochloride.

Molecular Properties

Compound Name2-N,2-N-dimethyloxane-2,4-diamine;hydrochloride
PubChem CID156905355
Molecular FormulaC7H17ClN2O
Molecular Weight180.68 g/mol
Exact Mass180.10
IUPAC Name2-N,2-N-dimethyloxane-2,4-diamine;hydrochloride
SMILESCN(C)C1CC(N)CCO1.Cl
InChIInChI=1S/C7H16N2O.ClH/c1-9(2)7-5-6(8)3-4-10-7;/h6-7H,3-5,8H2,1-2H3;1H
InChIKeyHMCWZUMQTYTCHF-UHFFFAOYSA-N
XLogP0.43
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.68
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-ethyl-N,N-dimethyloxan-2-amine
CID 176884191
(2R,4S)-2-tert-butyloxan-4-amine
CID 95335740
(2R,4R)-2-ethyloxan-4-amine
CID 82651052
(2R)-N,N-dimethyloxan-2-amine
CID 92983084
[(2R,4S)-4-aminooxan-2-yl]methanol;hydrochloride
CID 170902129
(2R,4S)-2-cyclopropyloxan-4-amine
CID 82651260
2-(aminomethyl)oxan-4-amine
CID 121396437
3-amino-N-methyl-N-(oxolan-3-yl)cyclohexane-1-carboxamide;hydrochloride
CID 119775453
3-amino-N-methyl-N-(oxolan-3-yl)cyclopentane-1-carboxamide
CID 81489575
(2S,4S)-2-(trifluoromethyl)oxan-4-amine
CID 82652984
[(2S,4S)-4-aminooxan-2-yl]methanol
CID 121305944
2-(trifluoromethyl)oxan-4-amine
CID 130167257

Frequently Asked Questions

What is the IUPAC name of 2-N,2-N-dimethyloxane-2,4-diamine;hydrochloride?
The IUPAC name of 2-N,2-N-dimethyloxane-2,4-diamine;hydrochloride (CID 156905355) is 2-N,2-N-dimethyloxane-2,4-diamine;hydrochloride.
What is the SMILES notation for 2-N,2-N-dimethyloxane-2,4-diamine;hydrochloride?
The canonical SMILES for 2-N,2-N-dimethyloxane-2,4-diamine;hydrochloride is CN(C)C1CC(N)CCO1.Cl.
What is the InChIKey of 2-N,2-N-dimethyloxane-2,4-diamine;hydrochloride?
The InChIKey is HMCWZUMQTYTCHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2O.ClH/c1-9(2)7-5-6(8)3-4-10-7;/h6-7H,3-5,8H2,1-2H3;1H.
What are the key properties of 2-N,2-N-dimethyloxane-2,4-diamine;hydrochloride?
2-N,2-N-dimethyloxane-2,4-diamine;hydrochloride has a molecular weight of 180.68 g/mol, XLogP of 0.43, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N-dimethyloxane-2,4-diamine;hydrochloride is sourced from PubChem (CID 156905355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).