4,4-dimethyloxolan-3-amine;hydrochloride

C6H14ClNO — CID 67002020

IUPAC4,4-dimethyloxolan-3-amine;hydrochloride
SMILESCC1(C)COCC1N.Cl
InChIInChI=1S/C6H13NO.ClH/c1-6(2)4-8-3-5(6)7;/h5H,3-4,7H2,1-2H3;1H
InChIKeyNOCVWQHRHSQVDX-UHFFFAOYSA-N
MW151.64 g/mol
LogP0.79
Rot. Bonds

About 4,4-dimethyloxolan-3-amine;hydrochloride

4,4-dimethyloxolan-3-amine;hydrochloride (PubChem CID 67002020) has the molecular formula C6H14ClNO and a molecular weight of 151.64 g/mol. Its IUPAC name is 4,4-dimethyloxolan-3-amine;hydrochloride.

Molecular Properties

Compound Name4,4-dimethyloxolan-3-amine;hydrochloride
PubChem CID67002020
Molecular FormulaC6H14ClNO
Molecular Weight151.64 g/mol
Exact Mass151.08
IUPAC Name4,4-dimethyloxolan-3-amine;hydrochloride
SMILESCC1(C)COCC1N.Cl
InChIInChI=1S/C6H13NO.ClH/c1-6(2)4-8-3-5(6)7;/h5H,3-4,7H2,1-2H3;1H
InChIKeyNOCVWQHRHSQVDX-UHFFFAOYSA-N
XLogP0.79
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.64
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyloxolan-3-amine;hydrochloride?
The IUPAC name of 4,4-dimethyloxolan-3-amine;hydrochloride (CID 67002020) is 4,4-dimethyloxolan-3-amine;hydrochloride.
What is the SMILES notation for 4,4-dimethyloxolan-3-amine;hydrochloride?
The canonical SMILES for 4,4-dimethyloxolan-3-amine;hydrochloride is CC1(C)COCC1N.Cl.
What is the InChIKey of 4,4-dimethyloxolan-3-amine;hydrochloride?
The InChIKey is NOCVWQHRHSQVDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO.ClH/c1-6(2)4-8-3-5(6)7;/h5H,3-4,7H2,1-2H3;1H.
What are the key properties of 4,4-dimethyloxolan-3-amine;hydrochloride?
4,4-dimethyloxolan-3-amine;hydrochloride has a molecular weight of 151.64 g/mol, XLogP of 0.79, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyloxolan-3-amine;hydrochloride is sourced from PubChem (CID 67002020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).