1-N-methylcyclopentene-1,2-diamine

C6H12N2 — CID 19049051

IUPAC1-N-methylcyclopentene-1,2-diamine
SMILESCNC1=C(N)CCC1
InChIInChI=1S/C6H12N2/c1-8-6-4-2-3-5(6)7/h8H,2-4,7H2,1H3
InChIKeyGEUSTOSMFNPKCV-UHFFFAOYSA-N
MW112.18 g/mol
LogP0.56
Rot. Bonds1

About 1-N-methylcyclopentene-1,2-diamine

1-N-methylcyclopentene-1,2-diamine (PubChem CID 19049051) has the molecular formula C6H12N2 and a molecular weight of 112.18 g/mol. Its IUPAC name is 1-N-methylcyclopentene-1,2-diamine.

Molecular Properties

Compound Name1-N-methylcyclopentene-1,2-diamine
PubChem CID19049051
Molecular FormulaC6H12N2
Molecular Weight112.18 g/mol
Exact Mass112.10
IUPAC Name1-N-methylcyclopentene-1,2-diamine
SMILESCNC1=C(N)CCC1
InChIInChI=1S/C6H12N2/c1-8-6-4-2-3-5(6)7/h8H,2-4,7H2,1H3
InChIKeyGEUSTOSMFNPKCV-UHFFFAOYSA-N
XLogP0.56
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.18
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-N-methylcyclopentene-1,2-diamine?
The IUPAC name of 1-N-methylcyclopentene-1,2-diamine (CID 19049051) is 1-N-methylcyclopentene-1,2-diamine.
What is the SMILES notation for 1-N-methylcyclopentene-1,2-diamine?
The canonical SMILES for 1-N-methylcyclopentene-1,2-diamine is CNC1=C(N)CCC1.
What is the InChIKey of 1-N-methylcyclopentene-1,2-diamine?
The InChIKey is GEUSTOSMFNPKCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2/c1-8-6-4-2-3-5(6)7/h8H,2-4,7H2,1H3.
What are the key properties of 1-N-methylcyclopentene-1,2-diamine?
1-N-methylcyclopentene-1,2-diamine has a molecular weight of 112.18 g/mol, XLogP of 0.56, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-methylcyclopentene-1,2-diamine is sourced from PubChem (CID 19049051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).