(2,2-dimethyloxolan-3-yl)methanamine;hydrochloride

C7H16ClNO — CID 122164478

IUPAC(2,2-dimethyloxolan-3-yl)methanamine;hydrochloride
SMILESCC1(C)OCCC1CN.Cl
InChIInChI=1S/C7H15NO.ClH/c1-7(2)6(5-8)3-4-9-7;/h6H,3-5,8H2,1-2H3;1H
InChIKeyCKXPSIJIBOBWFZ-UHFFFAOYSA-N
MW165.66 g/mol
LogP1.18
Rot. Bonds1

About (2,2-dimethyloxolan-3-yl)methanamine;hydrochloride

(2,2-dimethyloxolan-3-yl)methanamine;hydrochloride (PubChem CID 122164478) has the molecular formula C7H16ClNO and a molecular weight of 165.66 g/mol. Its IUPAC name is (2,2-dimethyloxolan-3-yl)methanamine;hydrochloride.

Molecular Properties

Compound Name(2,2-dimethyloxolan-3-yl)methanamine;hydrochloride
PubChem CID122164478
Molecular FormulaC7H16ClNO
Molecular Weight165.66 g/mol
Exact Mass165.09
IUPAC Name(2,2-dimethyloxolan-3-yl)methanamine;hydrochloride
SMILESCC1(C)OCCC1CN.Cl
InChIInChI=1S/C7H15NO.ClH/c1-7(2)6(5-8)3-4-9-7;/h6H,3-5,8H2,1-2H3;1H
InChIKeyCKXPSIJIBOBWFZ-UHFFFAOYSA-N
XLogP1.18
TPSA35.25 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 ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2,2-dimethyloxolan-3-yl)methanamine;hydrochloride?
The IUPAC name of (2,2-dimethyloxolan-3-yl)methanamine;hydrochloride (CID 122164478) is (2,2-dimethyloxolan-3-yl)methanamine;hydrochloride.
What is the SMILES notation for (2,2-dimethyloxolan-3-yl)methanamine;hydrochloride?
The canonical SMILES for (2,2-dimethyloxolan-3-yl)methanamine;hydrochloride is CC1(C)OCCC1CN.Cl.
What is the InChIKey of (2,2-dimethyloxolan-3-yl)methanamine;hydrochloride?
The InChIKey is CKXPSIJIBOBWFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO.ClH/c1-7(2)6(5-8)3-4-9-7;/h6H,3-5,8H2,1-2H3;1H.
What are the key properties of (2,2-dimethyloxolan-3-yl)methanamine;hydrochloride?
(2,2-dimethyloxolan-3-yl)methanamine;hydrochloride has a molecular weight of 165.66 g/mol, XLogP of 1.18, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2-dimethyloxolan-3-yl)methanamine;hydrochloride is sourced from PubChem (CID 122164478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).