1-N,3-N-dimethylcyclohexane-1,3-diamine

C8H18N2 — CID 12980882

IUPAC1-N,3-N-dimethylcyclohexane-1,3-diamine
SMILESCNC1CCCC(NC)C1
InChIInChI=1S/C8H18N2/c1-9-7-4-3-5-8(6-7)10-2/h7-10H,3-6H2,1-2H3
InChIKeyYDFDTKKXMZRNHR-UHFFFAOYSA-N
MW142.25 g/mol
LogP0.74
Rot. Bonds2

About 1-N,3-N-dimethylcyclohexane-1,3-diamine

1-N,3-N-dimethylcyclohexane-1,3-diamine (PubChem CID 12980882) has the molecular formula C8H18N2 and a molecular weight of 142.25 g/mol. Its IUPAC name is 1-N,3-N-dimethylcyclohexane-1,3-diamine.

Molecular Properties

Compound Name1-N,3-N-dimethylcyclohexane-1,3-diamine
PubChem CID12980882
Molecular FormulaC8H18N2
Molecular Weight142.25 g/mol
Exact Mass142.15
IUPAC Name1-N,3-N-dimethylcyclohexane-1,3-diamine
SMILESCNC1CCCC(NC)C1
InChIInChI=1S/C8H18N2/c1-9-7-4-3-5-8(6-7)10-2/h7-10H,3-6H2,1-2H3
InChIKeyYDFDTKKXMZRNHR-UHFFFAOYSA-N
XLogP0.74
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.25
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-N,3-N-dimethylcyclohexane-1,3-diamine?
The IUPAC name of 1-N,3-N-dimethylcyclohexane-1,3-diamine (CID 12980882) is 1-N,3-N-dimethylcyclohexane-1,3-diamine.
What is the SMILES notation for 1-N,3-N-dimethylcyclohexane-1,3-diamine?
The canonical SMILES for 1-N,3-N-dimethylcyclohexane-1,3-diamine is CNC1CCCC(NC)C1.
What is the InChIKey of 1-N,3-N-dimethylcyclohexane-1,3-diamine?
The InChIKey is YDFDTKKXMZRNHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2/c1-9-7-4-3-5-8(6-7)10-2/h7-10H,3-6H2,1-2H3.
What are the key properties of 1-N,3-N-dimethylcyclohexane-1,3-diamine?
1-N,3-N-dimethylcyclohexane-1,3-diamine has a molecular weight of 142.25 g/mol, XLogP of 0.74, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,3-N-dimethylcyclohexane-1,3-diamine is sourced from PubChem (CID 12980882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).