cyclohexane-1,2-diamine

C6H14N2 — CID 4610

IUPACcyclohexane-1,2-diamine
SMILESNC1CCCCC1N
InChIInChI=1S/C6H14N2/c7-5-3-1-2-4-6(5)8/h5-6H,1-4,7-8H2
InChIKeySSJXIUAHEKJCMH-UHFFFAOYSA-N
MW114.19 g/mol
LogP0.22
Rot. Bonds

About cyclohexane-1,2-diamine

cyclohexane-1,2-diamine (PubChem CID 4610) has the molecular formula C6H14N2 and a molecular weight of 114.19 g/mol. Its IUPAC name is cyclohexane-1,2-diamine.

Molecular Properties

Compound Namecyclohexane-1,2-diamine
PubChem CID4610
Molecular FormulaC6H14N2
Molecular Weight114.19 g/mol
Exact Mass114.12
IUPAC Namecyclohexane-1,2-diamine
SMILESNC1CCCCC1N
InChIInChI=1S/C6H14N2/c7-5-3-1-2-4-6(5)8/h5-6H,1-4,7-8H2
InChIKeySSJXIUAHEKJCMH-UHFFFAOYSA-N
XLogP0.22
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.19
LogP ≤ 50.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of cyclohexane-1,2-diamine?
The IUPAC name of cyclohexane-1,2-diamine (CID 4610) is cyclohexane-1,2-diamine.
What is the SMILES notation for cyclohexane-1,2-diamine?
The canonical SMILES for cyclohexane-1,2-diamine is NC1CCCCC1N.
What is the InChIKey of cyclohexane-1,2-diamine?
The InChIKey is SSJXIUAHEKJCMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2/c7-5-3-1-2-4-6(5)8/h5-6H,1-4,7-8H2.
What are the key properties of cyclohexane-1,2-diamine?
cyclohexane-1,2-diamine has a molecular weight of 114.19 g/mol, XLogP of 0.22, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexane-1,2-diamine is sourced from PubChem (CID 4610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).