1-methyl-2-azabicyclo[4.1.0]heptane;hydrochloride

C7H14ClN — CID 75994689

IUPAC1-methyl-2-azabicyclo[4.1.0]heptane;hydrochloride
SMILESCC12CC1CCCN2.Cl
InChIInChI=1S/C7H13N.ClH/c1-7-5-6(7)3-2-4-8-7;/h6,8H,2-5H2,1H3;1H
InChIKeyZSRKTBFDIJXBKO-UHFFFAOYSA-N
MW147.65 g/mol
LogP1.57
Rot. Bonds

About 1-methyl-2-azabicyclo[4.1.0]heptane;hydrochloride

1-methyl-2-azabicyclo[4.1.0]heptane;hydrochloride (PubChem CID 75994689) has the molecular formula C7H14ClN and a molecular weight of 147.65 g/mol. Its IUPAC name is 1-methyl-2-azabicyclo[4.1.0]heptane;hydrochloride.

Molecular Properties

Compound Name1-methyl-2-azabicyclo[4.1.0]heptane;hydrochloride
PubChem CID75994689
Molecular FormulaC7H14ClN
Molecular Weight147.65 g/mol
Exact Mass147.08
IUPAC Name1-methyl-2-azabicyclo[4.1.0]heptane;hydrochloride
SMILESCC12CC1CCCN2.Cl
InChIInChI=1S/C7H13N.ClH/c1-7-5-6(7)3-2-4-8-7;/h6,8H,2-5H2,1H3;1H
InChIKeyZSRKTBFDIJXBKO-UHFFFAOYSA-N
XLogP1.57
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.65
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-Azaspiro[2.5]octane hydrochloride
CID 71743378
3-Azabicyclo[4.1.0]heptane hydrochloride
CID 74889690
2-Azabicyclo[4.1.0]heptane hydrochloride
CID 86280359
3-Aza-bicyclo[4.1.0]heptane
CID 20521861
7-(Trifluoromethyl)-2-azabicyclo(4.1.0)heptane hydrochloride
CID 54593825
1-Fluoro-3-azabicyclo(4.1.0)heptane hydrochloride
CID 155819437
1-Methyl-2-azabicyclo[3.1.0]hexane hydrochloride
CID 155894749
7-(Fluoromethyl)-4-azaspiro[2.5]octane hydrochloride
CID 177800584
2-Azabicyclo[4.1.0]heptane
CID 21998683
1-Methyl-2-azabicyclo[4.1.0]heptane
CID 75994690
7-Fluoro-7-methyl-3-azabicyclo[4.1.0]heptane
CID 176557058
(5S,6R)-5-fluoro-3-azabicyclo[4.1.0]heptan-6-amine
CID 178124905

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-azabicyclo[4.1.0]heptane;hydrochloride?
The IUPAC name of 1-methyl-2-azabicyclo[4.1.0]heptane;hydrochloride (CID 75994689) is 1-methyl-2-azabicyclo[4.1.0]heptane;hydrochloride.
What is the SMILES notation for 1-methyl-2-azabicyclo[4.1.0]heptane;hydrochloride?
The canonical SMILES for 1-methyl-2-azabicyclo[4.1.0]heptane;hydrochloride is CC12CC1CCCN2.Cl.
What is the InChIKey of 1-methyl-2-azabicyclo[4.1.0]heptane;hydrochloride?
The InChIKey is ZSRKTBFDIJXBKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N.ClH/c1-7-5-6(7)3-2-4-8-7;/h6,8H,2-5H2,1H3;1H.
What are the key properties of 1-methyl-2-azabicyclo[4.1.0]heptane;hydrochloride?
1-methyl-2-azabicyclo[4.1.0]heptane;hydrochloride has a molecular weight of 147.65 g/mol, XLogP of 1.57, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-azabicyclo[4.1.0]heptane;hydrochloride is sourced from PubChem (CID 75994689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).