N-methyl-2-(oxolan-2-yl)ethanamine;hydrochloride

C7H16ClNO — CID 75481481

IUPACN-methyl-2-(oxolan-2-yl)ethanamine;hydrochloride
SMILESCNCCC1CCCO1.Cl
InChIInChI=1S/C7H15NO.ClH/c1-8-5-4-7-3-2-6-9-7;/h7-8H,2-6H2,1H3;1H
InChIKeyGYEGBVSMTDALKR-UHFFFAOYSA-N
MW165.66 g/mol
LogP1.20
Rot. Bonds3

About N-methyl-2-(oxolan-2-yl)ethanamine;hydrochloride

N-methyl-2-(oxolan-2-yl)ethanamine;hydrochloride (PubChem CID 75481481) has the molecular formula C7H16ClNO and a molecular weight of 165.66 g/mol. Its IUPAC name is N-methyl-2-(oxolan-2-yl)ethanamine;hydrochloride.

Molecular Properties

Compound NameN-methyl-2-(oxolan-2-yl)ethanamine;hydrochloride
PubChem CID75481481
Molecular FormulaC7H16ClNO
Molecular Weight165.66 g/mol
Exact Mass165.09
IUPAC NameN-methyl-2-(oxolan-2-yl)ethanamine;hydrochloride
SMILESCNCCC1CCCO1.Cl
InChIInChI=1S/C7H15NO.ClH/c1-8-5-4-7-3-2-6-9-7;/h7-8H,2-6H2,1H3;1H
InChIKeyGYEGBVSMTDALKR-UHFFFAOYSA-N
XLogP1.20
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.66
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(oxolan-2-yl)ethanamine;hydrochloride?
The IUPAC name of N-methyl-2-(oxolan-2-yl)ethanamine;hydrochloride (CID 75481481) is N-methyl-2-(oxolan-2-yl)ethanamine;hydrochloride.
What is the SMILES notation for N-methyl-2-(oxolan-2-yl)ethanamine;hydrochloride?
The canonical SMILES for N-methyl-2-(oxolan-2-yl)ethanamine;hydrochloride is CNCCC1CCCO1.Cl.
What is the InChIKey of N-methyl-2-(oxolan-2-yl)ethanamine;hydrochloride?
The InChIKey is GYEGBVSMTDALKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO.ClH/c1-8-5-4-7-3-2-6-9-7;/h7-8H,2-6H2,1H3;1H.
What are the key properties of N-methyl-2-(oxolan-2-yl)ethanamine;hydrochloride?
N-methyl-2-(oxolan-2-yl)ethanamine;hydrochloride has a molecular weight of 165.66 g/mol, XLogP of 1.20, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(oxolan-2-yl)ethanamine;hydrochloride is sourced from PubChem (CID 75481481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).