(3-amino-5,5-dimethyloxolan-3-yl)methanol;hydrochloride

C7H16ClNO2 — CID 170910308

IUPAC(3-amino-5,5-dimethyloxolan-3-yl)methanol;hydrochloride
SMILESCC1(C)CC(N)(CO)CO1.Cl
InChIInChI=1S/C7H15NO2.ClH/c1-6(2)3-7(8,4-9)5-10-6;/h9H,3-5,8H2,1-2H3;1H
InChIKeyCVNKUBMQZAXGOB-UHFFFAOYSA-N
MW181.66 g/mol
LogP0.30
Rot. Bonds1

About (3-amino-5,5-dimethyloxolan-3-yl)methanol;hydrochloride

(3-amino-5,5-dimethyloxolan-3-yl)methanol;hydrochloride (PubChem CID 170910308) has the molecular formula C7H16ClNO2 and a molecular weight of 181.66 g/mol. Its IUPAC name is (3-amino-5,5-dimethyloxolan-3-yl)methanol;hydrochloride.

Molecular Properties

Compound Name(3-amino-5,5-dimethyloxolan-3-yl)methanol;hydrochloride
PubChem CID170910308
Molecular FormulaC7H16ClNO2
Molecular Weight181.66 g/mol
Exact Mass181.09
IUPAC Name(3-amino-5,5-dimethyloxolan-3-yl)methanol;hydrochloride
SMILESCC1(C)CC(N)(CO)CO1.Cl
InChIInChI=1S/C7H15NO2.ClH/c1-6(2)3-7(8,4-9)5-10-6;/h9H,3-5,8H2,1-2H3;1H
InChIKeyCVNKUBMQZAXGOB-UHFFFAOYSA-N
XLogP0.30
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.66
LogP ≤ 50.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3-amino-5,5-dimethyloxolan-3-yl)methanol;hydrochloride?
The IUPAC name of (3-amino-5,5-dimethyloxolan-3-yl)methanol;hydrochloride (CID 170910308) is (3-amino-5,5-dimethyloxolan-3-yl)methanol;hydrochloride.
What is the SMILES notation for (3-amino-5,5-dimethyloxolan-3-yl)methanol;hydrochloride?
The canonical SMILES for (3-amino-5,5-dimethyloxolan-3-yl)methanol;hydrochloride is CC1(C)CC(N)(CO)CO1.Cl.
What is the InChIKey of (3-amino-5,5-dimethyloxolan-3-yl)methanol;hydrochloride?
The InChIKey is CVNKUBMQZAXGOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO2.ClH/c1-6(2)3-7(8,4-9)5-10-6;/h9H,3-5,8H2,1-2H3;1H.
What are the key properties of (3-amino-5,5-dimethyloxolan-3-yl)methanol;hydrochloride?
(3-amino-5,5-dimethyloxolan-3-yl)methanol;hydrochloride has a molecular weight of 181.66 g/mol, XLogP of 0.30, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-5,5-dimethyloxolan-3-yl)methanol;hydrochloride is sourced from PubChem (CID 170910308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).