ethane;6-methyl-3-azabicyclo[4.1.0]heptane

C11H25N — CID 154650325

IUPACethane;6-methyl-3-azabicyclo[4.1.0]heptane
SMILESCC.CC.CC12CCNCC1C2
InChIInChI=1S/C7H13N.2C2H6/c1-7-2-3-8-5-6(7)4-7;2*1-2/h6,8H,2-5H2,1H3;2*1-2H3
InChIKeyDLSCGRLTSNSVTQ-UHFFFAOYSA-N
MW171.33 g/mol
LogP3.06
Rot. Bonds

About ethane;6-methyl-3-azabicyclo[4.1.0]heptane

ethane;6-methyl-3-azabicyclo[4.1.0]heptane (PubChem CID 154650325) has the molecular formula C11H25N and a molecular weight of 171.33 g/mol. Its IUPAC name is ethane;6-methyl-3-azabicyclo[4.1.0]heptane.

Molecular Properties

Compound Nameethane;6-methyl-3-azabicyclo[4.1.0]heptane
PubChem CID154650325
Molecular FormulaC11H25N
Molecular Weight171.33 g/mol
Exact Mass171.20
IUPAC Nameethane;6-methyl-3-azabicyclo[4.1.0]heptane
SMILESCC.CC.CC12CCNCC1C2
InChIInChI=1S/C7H13N.2C2H6/c1-7-2-3-8-5-6(7)4-7;2*1-2/h6,8H,2-5H2,1H3;2*1-2H3
InChIKeyDLSCGRLTSNSVTQ-UHFFFAOYSA-N
XLogP3.06
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.33
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-cyclopropyl-4-methylpiperidine
CID 63156417
6-tert-butyl-3-azabicyclo[4.1.0]heptane;hydrochloride
CID 117045516
3-azabicyclo[4.1.0]heptan-6-amine
CID 117045485
1-[(1R,6S)-3-azabicyclo[4.1.0]heptan-6-yl]ethanone
CID 118681176
(3S,4S)-3,4-difluoro-4-methylpiperidine
CID 125117149
ethane;(3S)-3-methyl-5-(3-sulfanylpyrrolidin-3-yl)piperidine-3-thiol
CID 145225005
4,4-difluoro-1-methylbicyclo[4.1.0]heptane
CID 139551138
6-[4-(1-methylcyclopropyl)phenyl]-3-azabicyclo[4.1.0]heptane
CID 175861742
(1S,6S)-6-(difluoromethyl)-3-azabicyclo[4.1.0]heptane
CID 98125628
3-azabicyclo[4.1.0]heptan-6-ylmethanol;hydrochloride
CID 86762676
3-ethyl-4-fluoro-4-methylpiperidine
CID 84716301
(1S,6S)-3-azabicyclo[4.2.0]octan-6-amine
CID 54266623

Frequently Asked Questions

What is the IUPAC name of ethane;6-methyl-3-azabicyclo[4.1.0]heptane?
The IUPAC name of ethane;6-methyl-3-azabicyclo[4.1.0]heptane (CID 154650325) is ethane;6-methyl-3-azabicyclo[4.1.0]heptane.
What is the SMILES notation for ethane;6-methyl-3-azabicyclo[4.1.0]heptane?
The canonical SMILES for ethane;6-methyl-3-azabicyclo[4.1.0]heptane is CC.CC.CC12CCNCC1C2.
What is the InChIKey of ethane;6-methyl-3-azabicyclo[4.1.0]heptane?
The InChIKey is DLSCGRLTSNSVTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N.2C2H6/c1-7-2-3-8-5-6(7)4-7;2*1-2/h6,8H,2-5H2,1H3;2*1-2H3.
What are the key properties of ethane;6-methyl-3-azabicyclo[4.1.0]heptane?
ethane;6-methyl-3-azabicyclo[4.1.0]heptane has a molecular weight of 171.33 g/mol, XLogP of 3.06, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;6-methyl-3-azabicyclo[4.1.0]heptane is sourced from PubChem (CID 154650325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).