2-N-methylcyclohexene-1,2-diamine

C7H14N2 — CID 19049144

IUPAC2-N-methylcyclohexene-1,2-diamine
SMILESCNC1=C(N)CCCC1
InChIInChI=1S/C7H14N2/c1-9-7-5-3-2-4-6(7)8/h9H,2-5,8H2,1H3
InChIKeyRXAVWULUIVOHHA-UHFFFAOYSA-N
MW126.20 g/mol
LogP0.95
Rot. Bonds1

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

2-N-methylcyclohexene-1,2-diamine (PubChem CID 19049144) has the molecular formula C7H14N2 and a molecular weight of 126.20 g/mol. Its IUPAC name is 2-N-methylcyclohexene-1,2-diamine.

Molecular Properties

Compound Name2-N-methylcyclohexene-1,2-diamine
PubChem CID19049144
Molecular FormulaC7H14N2
Molecular Weight126.20 g/mol
Exact Mass126.12
IUPAC Name2-N-methylcyclohexene-1,2-diamine
SMILESCNC1=C(N)CCCC1
InChIInChI=1S/C7H14N2/c1-9-7-5-3-2-4-6(7)8/h9H,2-5,8H2,1H3
InChIKeyRXAVWULUIVOHHA-UHFFFAOYSA-N
XLogP0.95
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.20
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-N-methylcyclohexene-1,2-diamine?
The IUPAC name of 2-N-methylcyclohexene-1,2-diamine (CID 19049144) is 2-N-methylcyclohexene-1,2-diamine.
What is the SMILES notation for 2-N-methylcyclohexene-1,2-diamine?
The canonical SMILES for 2-N-methylcyclohexene-1,2-diamine is CNC1=C(N)CCCC1.
What is the InChIKey of 2-N-methylcyclohexene-1,2-diamine?
The InChIKey is RXAVWULUIVOHHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2/c1-9-7-5-3-2-4-6(7)8/h9H,2-5,8H2,1H3.
What are the key properties of 2-N-methylcyclohexene-1,2-diamine?
2-N-methylcyclohexene-1,2-diamine has a molecular weight of 126.20 g/mol, XLogP of 0.95, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-methylcyclohexene-1,2-diamine is sourced from PubChem (CID 19049144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).