ethane;2-N-methylcyclohexene-1,2-diamine

C9H20N2 — CID 144833848

IUPACethane;2-N-methylcyclohexene-1,2-diamine
SMILESCC.CNC1=C(N)CCCC1
InChIInChI=1S/C7H14N2.C2H6/c1-9-7-5-3-2-4-6(7)8;1-2/h9H,2-5,8H2,1H3;1-2H3
InChIKeyRJPKCSWSBSUGRX-UHFFFAOYSA-N
MW156.27 g/mol
LogP1.98
Rot. Bonds1

About ethane;2-N-methylcyclohexene-1,2-diamine

ethane;2-N-methylcyclohexene-1,2-diamine (PubChem CID 144833848) has the molecular formula C9H20N2 and a molecular weight of 156.27 g/mol. Its IUPAC name is ethane;2-N-methylcyclohexene-1,2-diamine.

Molecular Properties

Compound Nameethane;2-N-methylcyclohexene-1,2-diamine
PubChem CID144833848
Molecular FormulaC9H20N2
Molecular Weight156.27 g/mol
Exact Mass156.16
IUPAC Nameethane;2-N-methylcyclohexene-1,2-diamine
SMILESCC.CNC1=C(N)CCCC1
InChIInChI=1S/C7H14N2.C2H6/c1-9-7-5-3-2-4-6(7)8;1-2/h9H,2-5,8H2,1H3;1-2H3
InChIKeyRJPKCSWSBSUGRX-UHFFFAOYSA-N
XLogP1.98
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.27
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethane;2-N-methylcyclohexene-1,2-diamine?
The IUPAC name of ethane;2-N-methylcyclohexene-1,2-diamine (CID 144833848) is ethane;2-N-methylcyclohexene-1,2-diamine.
What is the SMILES notation for ethane;2-N-methylcyclohexene-1,2-diamine?
The canonical SMILES for ethane;2-N-methylcyclohexene-1,2-diamine is CC.CNC1=C(N)CCCC1.
What is the InChIKey of ethane;2-N-methylcyclohexene-1,2-diamine?
The InChIKey is RJPKCSWSBSUGRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2.C2H6/c1-9-7-5-3-2-4-6(7)8;1-2/h9H,2-5,8H2,1H3;1-2H3.
What are the key properties of ethane;2-N-methylcyclohexene-1,2-diamine?
ethane;2-N-methylcyclohexene-1,2-diamine has a molecular weight of 156.27 g/mol, XLogP of 1.98, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-N-methylcyclohexene-1,2-diamine is sourced from PubChem (CID 144833848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).