N,4,4-trimethyloxolan-3-amine;hydrochloride

C7H16ClNO — CID 163321450

IUPACN,4,4-trimethyloxolan-3-amine;hydrochloride
SMILESCNC1COCC1(C)C.Cl
InChIInChI=1S/C7H15NO.ClH/c1-7(2)5-9-4-6(7)8-3;/h6,8H,4-5H2,1-3H3;1H
InChIKeyRMWNJDKWGKYJBG-UHFFFAOYSA-N
MW165.66 g/mol
LogP1.05
Rot. Bonds1

About N,4,4-trimethyloxolan-3-amine;hydrochloride

N,4,4-trimethyloxolan-3-amine;hydrochloride (PubChem CID 163321450) has the molecular formula C7H16ClNO and a molecular weight of 165.66 g/mol. Its IUPAC name is N,4,4-trimethyloxolan-3-amine;hydrochloride.

Molecular Properties

Compound NameN,4,4-trimethyloxolan-3-amine;hydrochloride
PubChem CID163321450
Molecular FormulaC7H16ClNO
Molecular Weight165.66 g/mol
Exact Mass165.09
IUPAC NameN,4,4-trimethyloxolan-3-amine;hydrochloride
SMILESCNC1COCC1(C)C.Cl
InChIInChI=1S/C7H15NO.ClH/c1-7(2)5-9-4-6(7)8-3;/h6,8H,4-5H2,1-3H3;1H
InChIKeyRMWNJDKWGKYJBG-UHFFFAOYSA-N
XLogP1.05
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.66
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyloxolan-3-amine
CID 22225706
N-methyltetrahydrofuran-3-amine hydrochloride
CID 53404832
(3R)-N-methyloxolan-3-amine hydrochloride
CID 55264568
4,4-Dimethyloxolan-3-amine hydrochloride
CID 67002020
N-ethyloxolan-3-amine hydrochloride
CID 76220685
(3R,4R)-N-(2,2-dimethylpropyl)-4-fluorooxolan-3-amine
CID 177265346
N,4,4-trimethyloxolan-3-amine
CID 126986517
(3R,4S)-N,4-dimethyloxolan-3-amine
CID 11571794
(3S,4R)-N,4-dimethyloxolan-3-amine
CID 11629595
2,4-Ditert-butyl-1,3-oxazolidine
CID 18720035
4-Tert-butyl-1,3-oxazolidine
CID 23383482
(3R)-N-Methyloxolan-3-amine
CID 51606338

Frequently Asked Questions

What is the IUPAC name of N,4,4-trimethyloxolan-3-amine;hydrochloride?
The IUPAC name of N,4,4-trimethyloxolan-3-amine;hydrochloride (CID 163321450) is N,4,4-trimethyloxolan-3-amine;hydrochloride.
What is the SMILES notation for N,4,4-trimethyloxolan-3-amine;hydrochloride?
The canonical SMILES for N,4,4-trimethyloxolan-3-amine;hydrochloride is CNC1COCC1(C)C.Cl.
What is the InChIKey of N,4,4-trimethyloxolan-3-amine;hydrochloride?
The InChIKey is RMWNJDKWGKYJBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO.ClH/c1-7(2)5-9-4-6(7)8-3;/h6,8H,4-5H2,1-3H3;1H.
What are the key properties of N,4,4-trimethyloxolan-3-amine;hydrochloride?
N,4,4-trimethyloxolan-3-amine;hydrochloride has a molecular weight of 165.66 g/mol, XLogP of 1.05, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,4,4-trimethyloxolan-3-amine;hydrochloride is sourced from PubChem (CID 163321450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).