cyclohexene-1,3-diamine

C6H12N2 — CID 22627722

IUPACcyclohexene-1,3-diamine
SMILESNC1=CC(N)CCC1
InChIInChI=1S/C6H12N2/c7-5-2-1-3-6(8)4-5/h4-5H,1-3,7-8H2
InChIKeyPEVFWAALMPWLFV-UHFFFAOYSA-N
MW112.18 g/mol
LogP0.34
Rot. Bonds

About cyclohexene-1,3-diamine

cyclohexene-1,3-diamine (PubChem CID 22627722) has the molecular formula C6H12N2 and a molecular weight of 112.18 g/mol. Its IUPAC name is cyclohexene-1,3-diamine.

Molecular Properties

Compound Namecyclohexene-1,3-diamine
PubChem CID22627722
Molecular FormulaC6H12N2
Molecular Weight112.18 g/mol
Exact Mass112.10
IUPAC Namecyclohexene-1,3-diamine
SMILESNC1=CC(N)CCC1
InChIInChI=1S/C6H12N2/c7-5-2-1-3-6(8)4-5/h4-5H,1-3,7-8H2
InChIKeyPEVFWAALMPWLFV-UHFFFAOYSA-N
XLogP0.34
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.18
LogP ≤ 50.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of cyclohexene-1,3-diamine?
The IUPAC name of cyclohexene-1,3-diamine (CID 22627722) is cyclohexene-1,3-diamine.
What is the SMILES notation for cyclohexene-1,3-diamine?
The canonical SMILES for cyclohexene-1,3-diamine is NC1=CC(N)CCC1.
What is the InChIKey of cyclohexene-1,3-diamine?
The InChIKey is PEVFWAALMPWLFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2/c7-5-2-1-3-6(8)4-5/h4-5H,1-3,7-8H2.
What are the key properties of cyclohexene-1,3-diamine?
cyclohexene-1,3-diamine has a molecular weight of 112.18 g/mol, XLogP of 0.34, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexene-1,3-diamine is sourced from PubChem (CID 22627722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).