4-N,4-N-dimethylcyclohexane-1,4-diamine;dihydrate

C8H22N2O2 — CID 175142686

IUPAC4-N,4-N-dimethylcyclohexane-1,4-diamine;dihydrate
SMILESCN(C)C1CCC(N)CC1.O.O
InChIInChI=1S/C8H18N2.2H2O/c1-10(2)8-5-3-7(9)4-6-8;;/h7-8H,3-6,9H2,1-2H3;2*1H2
InChIKeyXLEHQFULYCRRLI-UHFFFAOYSA-N
MW178.28 g/mol
LogP-0.83
Rot. Bonds1

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

4-N,4-N-dimethylcyclohexane-1,4-diamine;dihydrate (PubChem CID 175142686) has the molecular formula C8H22N2O2 and a molecular weight of 178.28 g/mol. Its IUPAC name is 4-N,4-N-dimethylcyclohexane-1,4-diamine;dihydrate.

Molecular Properties

Compound Name4-N,4-N-dimethylcyclohexane-1,4-diamine;dihydrate
PubChem CID175142686
Molecular FormulaC8H22N2O2
Molecular Weight178.28 g/mol
Exact Mass178.17
IUPAC Name4-N,4-N-dimethylcyclohexane-1,4-diamine;dihydrate
SMILESCN(C)C1CCC(N)CC1.O.O
InChIInChI=1S/C8H18N2.2H2O/c1-10(2)8-5-3-7(9)4-6-8;;/h7-8H,3-6,9H2,1-2H3;2*1H2
InChIKeyXLEHQFULYCRRLI-UHFFFAOYSA-N
XLogP-0.83
TPSA92.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.28
LogP ≤ 5-0.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-N,4-N-dimethylcyclohexane-1,4-diamine;4-methylcyclohexan-1-amine;N,N,4-trimethylcyclohexan-1-amine
CID 160976846
4-[amino(methyl)amino]cyclohexan-1-amine
CID 131970686
4-N,4-N-bis(4-aminocyclohexyl)cyclohexane-1,4-diamine
CID 146391384
4-N-methyl-4-N-propan-2-ylcyclohexane-1,4-diamine
CID 18419789
4-N-methyl-4-N-(4-methylcyclohexyl)cyclohexane-1,4-diamine
CID 62808155
4-N-methyl-4-N-(4-propan-2-ylcyclohexyl)cyclohexane-1,4-diamine
CID 79121688
cis-(1S,3R)-1-N,1-N-dimethylcyclohexane-1,3-diamine
CID 86328477
methane;N,N,4-trimethylcyclohexan-1-amine
CID 159051583
4-N-methyl-4-N-(2-methylpropyl)cyclohexane-1,4-diamine
CID 62807255
4-N,4-N-diethylcyclohexane-1,4-diamine;dihydrochloride
CID 53408661
benzene;methanamine;N,N,4-trimethylcyclohexan-1-amine
CID 142894012
N,N-dimethylcyclobutanamine;N,N-dimethylmethanamine;ethane
CID 143754899

Frequently Asked Questions

What is the IUPAC name of 4-N,4-N-dimethylcyclohexane-1,4-diamine;dihydrate?
The IUPAC name of 4-N,4-N-dimethylcyclohexane-1,4-diamine;dihydrate (CID 175142686) is 4-N,4-N-dimethylcyclohexane-1,4-diamine;dihydrate.
What is the SMILES notation for 4-N,4-N-dimethylcyclohexane-1,4-diamine;dihydrate?
The canonical SMILES for 4-N,4-N-dimethylcyclohexane-1,4-diamine;dihydrate is CN(C)C1CCC(N)CC1.O.O.
What is the InChIKey of 4-N,4-N-dimethylcyclohexane-1,4-diamine;dihydrate?
The InChIKey is XLEHQFULYCRRLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2.2H2O/c1-10(2)8-5-3-7(9)4-6-8;;/h7-8H,3-6,9H2,1-2H3;2*1H2.
What are the key properties of 4-N,4-N-dimethylcyclohexane-1,4-diamine;dihydrate?
4-N,4-N-dimethylcyclohexane-1,4-diamine;dihydrate has a molecular weight of 178.28 g/mol, XLogP of -0.83, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,4-N-dimethylcyclohexane-1,4-diamine;dihydrate is sourced from PubChem (CID 175142686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).