1-N,1-N'-dimethylcyclohexane-1,1-diamine

C8H18N2 — CID 19820140

IUPAC1-N,1-N'-dimethylcyclohexane-1,1-diamine
SMILESCNC1(NC)CCCCC1
InChIInChI=1S/C8H18N2/c1-9-8(10-2)6-4-3-5-7-8/h9-10H,3-7H2,1-2H3
InChIKeyROHGINRQAFHUPY-UHFFFAOYSA-N
MW142.25 g/mol
LogP1.09
Rot. Bonds2

About 1-N,1-N'-dimethylcyclohexane-1,1-diamine

1-N,1-N'-dimethylcyclohexane-1,1-diamine (PubChem CID 19820140) has the molecular formula C8H18N2 and a molecular weight of 142.25 g/mol. Its IUPAC name is 1-N,1-N'-dimethylcyclohexane-1,1-diamine.

Molecular Properties

Compound Name1-N,1-N'-dimethylcyclohexane-1,1-diamine
PubChem CID19820140
Molecular FormulaC8H18N2
Molecular Weight142.25 g/mol
Exact Mass142.15
IUPAC Name1-N,1-N'-dimethylcyclohexane-1,1-diamine
SMILESCNC1(NC)CCCCC1
InChIInChI=1S/C8H18N2/c1-9-8(10-2)6-4-3-5-7-8/h9-10H,3-7H2,1-2H3
InChIKeyROHGINRQAFHUPY-UHFFFAOYSA-N
XLogP1.09
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 ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-N,1-N'-dimethylcyclohexane-1,1-diamine?
The IUPAC name of 1-N,1-N'-dimethylcyclohexane-1,1-diamine (CID 19820140) is 1-N,1-N'-dimethylcyclohexane-1,1-diamine.
What is the SMILES notation for 1-N,1-N'-dimethylcyclohexane-1,1-diamine?
The canonical SMILES for 1-N,1-N'-dimethylcyclohexane-1,1-diamine is CNC1(NC)CCCCC1.
What is the InChIKey of 1-N,1-N'-dimethylcyclohexane-1,1-diamine?
The InChIKey is ROHGINRQAFHUPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2/c1-9-8(10-2)6-4-3-5-7-8/h9-10H,3-7H2,1-2H3.
What are the key properties of 1-N,1-N'-dimethylcyclohexane-1,1-diamine?
1-N,1-N'-dimethylcyclohexane-1,1-diamine has a molecular weight of 142.25 g/mol, XLogP of 1.09, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,1-N'-dimethylcyclohexane-1,1-diamine is sourced from PubChem (CID 19820140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).