4-N,1-dimethylcyclohexane-1,4-diamine

C8H18N2 — CID 139019980

IUPAC4-N,1-dimethylcyclohexane-1,4-diamine
SMILESCNC1CCC(C)(N)CC1
InChIInChI=1S/C8H18N2/c1-8(9)5-3-7(10-2)4-6-8/h7,10H,3-6,9H2,1-2H3
InChIKeyVDKOKOGDYRHULH-UHFFFAOYSA-N
MW142.25 g/mol
LogP0.87
Rot. Bonds1

About 4-N,1-dimethylcyclohexane-1,4-diamine

4-N,1-dimethylcyclohexane-1,4-diamine (PubChem CID 139019980) has the molecular formula C8H18N2 and a molecular weight of 142.25 g/mol. Its IUPAC name is 4-N,1-dimethylcyclohexane-1,4-diamine.

Molecular Properties

Compound Name4-N,1-dimethylcyclohexane-1,4-diamine
PubChem CID139019980
Molecular FormulaC8H18N2
Molecular Weight142.25 g/mol
Exact Mass142.15
IUPAC Name4-N,1-dimethylcyclohexane-1,4-diamine
SMILESCNC1CCC(C)(N)CC1
InChIInChI=1S/C8H18N2/c1-8(9)5-3-7(10-2)4-6-8/h7,10H,3-6,9H2,1-2H3
InChIKeyVDKOKOGDYRHULH-UHFFFAOYSA-N
XLogP0.87
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.25
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-N,1-dimethylcyclohexane-1,4-diamine?
The IUPAC name of 4-N,1-dimethylcyclohexane-1,4-diamine (CID 139019980) is 4-N,1-dimethylcyclohexane-1,4-diamine.
What is the SMILES notation for 4-N,1-dimethylcyclohexane-1,4-diamine?
The canonical SMILES for 4-N,1-dimethylcyclohexane-1,4-diamine is CNC1CCC(C)(N)CC1.
What is the InChIKey of 4-N,1-dimethylcyclohexane-1,4-diamine?
The InChIKey is VDKOKOGDYRHULH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2/c1-8(9)5-3-7(10-2)4-6-8/h7,10H,3-6,9H2,1-2H3.
What are the key properties of 4-N,1-dimethylcyclohexane-1,4-diamine?
4-N,1-dimethylcyclohexane-1,4-diamine has a molecular weight of 142.25 g/mol, XLogP of 0.87, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,1-dimethylcyclohexane-1,4-diamine is sourced from PubChem (CID 139019980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).