azane;1,3-dimethylbicyclo[3.1.0]hexane

C8H17N — CID 175419349

IUPACazane;1,3-dimethylbicyclo[3.1.0]hexane
SMILESCC1CC2CC2(C)C1.N
InChIInChI=1S/C8H14.H3N/c1-6-3-7-5-8(7,2)4-6;/h6-7H,3-5H2,1-2H3;1H3
InChIKeyJTWAMCLAJSSXBY-UHFFFAOYSA-N
MW127.23 g/mol
LogP2.60
Rot. Bonds

About azane;1,3-dimethylbicyclo[3.1.0]hexane

azane;1,3-dimethylbicyclo[3.1.0]hexane (PubChem CID 175419349) has the molecular formula C8H17N and a molecular weight of 127.23 g/mol. Its IUPAC name is azane;1,3-dimethylbicyclo[3.1.0]hexane.

Molecular Properties

Compound Nameazane;1,3-dimethylbicyclo[3.1.0]hexane
PubChem CID175419349
Molecular FormulaC8H17N
Molecular Weight127.23 g/mol
Exact Mass127.14
IUPAC Nameazane;1,3-dimethylbicyclo[3.1.0]hexane
SMILESCC1CC2CC2(C)C1.N
InChIInChI=1S/C8H14.H3N/c1-6-3-7-5-8(7,2)4-6;/h6-7H,3-5H2,1-2H3;1H3
InChIKeyJTWAMCLAJSSXBY-UHFFFAOYSA-N
XLogP2.60
TPSA35.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.23
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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1,3,5-trimethylcyclohexan-1-amine;hydrochloride
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Frequently Asked Questions

What is the IUPAC name of azane;1,3-dimethylbicyclo[3.1.0]hexane?
The IUPAC name of azane;1,3-dimethylbicyclo[3.1.0]hexane (CID 175419349) is azane;1,3-dimethylbicyclo[3.1.0]hexane.
What is the SMILES notation for azane;1,3-dimethylbicyclo[3.1.0]hexane?
The canonical SMILES for azane;1,3-dimethylbicyclo[3.1.0]hexane is CC1CC2CC2(C)C1.N.
What is the InChIKey of azane;1,3-dimethylbicyclo[3.1.0]hexane?
The InChIKey is JTWAMCLAJSSXBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14.H3N/c1-6-3-7-5-8(7,2)4-6;/h6-7H,3-5H2,1-2H3;1H3.
What are the key properties of azane;1,3-dimethylbicyclo[3.1.0]hexane?
azane;1,3-dimethylbicyclo[3.1.0]hexane has a molecular weight of 127.23 g/mol, XLogP of 2.60, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for azane;1,3-dimethylbicyclo[3.1.0]hexane is sourced from PubChem (CID 175419349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).