N,2,2-trimethyloxan-4-amine;hydrochloride

C8H18ClNO — CID 141410410

IUPACN,2,2-trimethyloxan-4-amine;hydrochloride
SMILESCNC1CCOC(C)(C)C1.Cl
InChIInChI=1S/C8H17NO.ClH/c1-8(2)6-7(9-3)4-5-10-8;/h7,9H,4-6H2,1-3H3;1H
InChIKeyIXSHVVGWQUVUJQ-UHFFFAOYSA-N
MW179.69 g/mol
LogP1.59
Rot. Bonds1

About N,2,2-trimethyloxan-4-amine;hydrochloride

N,2,2-trimethyloxan-4-amine;hydrochloride (PubChem CID 141410410) has the molecular formula C8H18ClNO and a molecular weight of 179.69 g/mol. Its IUPAC name is N,2,2-trimethyloxan-4-amine;hydrochloride.

Molecular Properties

Compound NameN,2,2-trimethyloxan-4-amine;hydrochloride
PubChem CID141410410
Molecular FormulaC8H18ClNO
Molecular Weight179.69 g/mol
Exact Mass179.11
IUPAC NameN,2,2-trimethyloxan-4-amine;hydrochloride
SMILESCNC1CCOC(C)(C)C1.Cl
InChIInChI=1S/C8H17NO.ClH/c1-8(2)6-7(9-3)4-5-10-8;/h7,9H,4-6H2,1-3H3;1H
InChIKeyIXSHVVGWQUVUJQ-UHFFFAOYSA-N
XLogP1.59
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.69
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,2-Dimethyloxan-4-amine hydrochloride
CID 67124190
2,2-Dimethyloxan-4-amine
CID 3809203
N,2,2-trimethyltetrahydro-2H-pyran-4-amine
CID 13764667
N-ethyl-2,2-dimethyloxan-4-amine
CID 45791211
N-ethyl-2,2-dimethyloxan-4-amine hydrochloride
CID 119031587
N,2-dimethyloxan-4-amine hydrochloride
CID 154857191
2,2-dimethyltetrahydro-2H-pyran-4-aminium chloride
CID 86675380
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
N-(2-fluoroethyl)-2,2-dimethyloxan-4-amine
CID 83032572
2,2-diethyl-N-(3-fluoropropyl)oxan-4-amine
CID 83032749

Frequently Asked Questions

What is the IUPAC name of N,2,2-trimethyloxan-4-amine;hydrochloride?
The IUPAC name of N,2,2-trimethyloxan-4-amine;hydrochloride (CID 141410410) is N,2,2-trimethyloxan-4-amine;hydrochloride.
What is the SMILES notation for N,2,2-trimethyloxan-4-amine;hydrochloride?
The canonical SMILES for N,2,2-trimethyloxan-4-amine;hydrochloride is CNC1CCOC(C)(C)C1.Cl.
What is the InChIKey of N,2,2-trimethyloxan-4-amine;hydrochloride?
The InChIKey is IXSHVVGWQUVUJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO.ClH/c1-8(2)6-7(9-3)4-5-10-8;/h7,9H,4-6H2,1-3H3;1H.
What are the key properties of N,2,2-trimethyloxan-4-amine;hydrochloride?
N,2,2-trimethyloxan-4-amine;hydrochloride has a molecular weight of 179.69 g/mol, XLogP of 1.59, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,2,2-trimethyloxan-4-amine;hydrochloride is sourced from PubChem (CID 141410410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).