2,4-dimethyloxan-4-amine;hydrochloride

C7H16ClNO — CID 126836444

IUPAC2,4-dimethyloxan-4-amine;hydrochloride
SMILESCC1CC(C)(N)CCO1.Cl
InChIInChI=1S/C7H15NO.ClH/c1-6-5-7(2,8)3-4-9-6;/h6H,3-5,8H2,1-2H3;1H
InChIKeyFOFOZLUXGCVXLM-UHFFFAOYSA-N
MW165.66 g/mol
LogP1.32
Rot. Bonds

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

2,4-dimethyloxan-4-amine;hydrochloride (PubChem CID 126836444) has the molecular formula C7H16ClNO and a molecular weight of 165.66 g/mol. Its IUPAC name is 2,4-dimethyloxan-4-amine;hydrochloride.

Molecular Properties

Compound Name2,4-dimethyloxan-4-amine;hydrochloride
PubChem CID126836444
Molecular FormulaC7H16ClNO
Molecular Weight165.66 g/mol
Exact Mass165.09
IUPAC Name2,4-dimethyloxan-4-amine;hydrochloride
SMILESCC1CC(C)(N)CCO1.Cl
InChIInChI=1S/C7H15NO.ClH/c1-6-5-7(2,8)3-4-9-6;/h6H,3-5,8H2,1-2H3;1H
InChIKeyFOFOZLUXGCVXLM-UHFFFAOYSA-N
XLogP1.32
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.66
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-Ethyloxan-4-amine hydrochloride
CID 71757570
4-Propyloxan-4-amine hydrochloride
CID 170911901
3-Ethyloxan-3-amine hydrochloride
CID 177801354
2,4-Dimethyloxan-4-amine
CID 22765765
2-Methyl-4-(trifluoromethyl)oxan-4-amine
CID 64137255
4-(Difluoromethyl)-2-methyloxan-4-amine
CID 80604189
2,4,6-Trimethyloxan-4-amine
CID 18437324
4-Isobutyltetrahydro-2H-pyran-4-amine
CID 58432663
4-Propyltetrahydro-2H-pyran-4-amine
CID 63220415
(4S)-2,4-dimethyloxan-4-amine
CID 89036017
(2S,4S)-2,4-dimethyloxan-4-amine
CID 96218215
(2S,3S,4S)-2,3,4,6-tetramethyloxan-4-amine
CID 117894286

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyloxan-4-amine;hydrochloride?
The IUPAC name of 2,4-dimethyloxan-4-amine;hydrochloride (CID 126836444) is 2,4-dimethyloxan-4-amine;hydrochloride.
What is the SMILES notation for 2,4-dimethyloxan-4-amine;hydrochloride?
The canonical SMILES for 2,4-dimethyloxan-4-amine;hydrochloride is CC1CC(C)(N)CCO1.Cl.
What is the InChIKey of 2,4-dimethyloxan-4-amine;hydrochloride?
The InChIKey is FOFOZLUXGCVXLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO.ClH/c1-6-5-7(2,8)3-4-9-6;/h6H,3-5,8H2,1-2H3;1H.
What are the key properties of 2,4-dimethyloxan-4-amine;hydrochloride?
2,4-dimethyloxan-4-amine;hydrochloride has a molecular weight of 165.66 g/mol, XLogP of 1.32, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyloxan-4-amine;hydrochloride is sourced from PubChem (CID 126836444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).