4-N,4-N-diethylcyclohexane-1,4-diamine;dihydrochloride

C10H24Cl2N2 — CID 53408661

IUPAC4-N,4-N-diethylcyclohexane-1,4-diamine;dihydrochloride
SMILESCCN(CC)C1CCC(N)CC1.Cl.Cl
InChIInChI=1S/C10H22N2.2ClH/c1-3-12(4-2)10-7-5-9(11)6-8-10;;/h9-10H,3-8,11H2,1-2H3;2*1H
InChIKeyJSGOAXICWAZNHJ-UHFFFAOYSA-N
MW243.22 g/mol
LogP2.44
Rot. Bonds3

About 4-N,4-N-diethylcyclohexane-1,4-diamine;dihydrochloride

4-N,4-N-diethylcyclohexane-1,4-diamine;dihydrochloride (PubChem CID 53408661) has the molecular formula C10H24Cl2N2 and a molecular weight of 243.22 g/mol. Its IUPAC name is 4-N,4-N-diethylcyclohexane-1,4-diamine;dihydrochloride.

Molecular Properties

Compound Name4-N,4-N-diethylcyclohexane-1,4-diamine;dihydrochloride
PubChem CID53408661
Molecular FormulaC10H24Cl2N2
Molecular Weight243.22 g/mol
Exact Mass242.13
IUPAC Name4-N,4-N-diethylcyclohexane-1,4-diamine;dihydrochloride
SMILESCCN(CC)C1CCC(N)CC1.Cl.Cl
InChIInChI=1S/C10H22N2.2ClH/c1-3-12(4-2)10-7-5-9(11)6-8-10;;/h9-10H,3-8,11H2,1-2H3;2*1H
InChIKeyJSGOAXICWAZNHJ-UHFFFAOYSA-N
XLogP2.44
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.22
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-N-but-2-ynyl-4-N-ethylcyclohexane-1,4-diamine
CID 79115467
3-[(4-aminocyclohexyl)-ethylamino]propan-1-ol
CID 79115547
4-N-(3,3-dimethylbutyl)-4-N-ethylcyclohexane-1,4-diamine
CID 79116009
3-[(4-aminocyclohexyl)-ethylamino]propanoic acid
CID 79115702
4-N-ethyl-4-N-(2-methylsulfonylethyl)cyclohexane-1,4-diamine
CID 79115090
N,N-diethyl-4-methylcyclohexan-1-amine;ethane
CID 145372894
N,N-diethylcyclobutanamine;ethane
CID 170746144
4-N-ethyl-4-N-[2-(trifluoromethoxy)ethyl]cyclohexane-1,4-diamine
CID 79115353
1-(4-aminocyclohexyl)-N,N-diethylpyrrolidin-3-amine
CID 63169848
4-[[cyclopropyl(propyl)amino]methyl]cyclohexan-1-amine
CID 60850888
4-N-ethyl-4-N-(thian-3-ylmethyl)cyclohexane-1,4-diamine
CID 114283045
4-N-ethyl-4-N-[(2,4,6-trimethylphenyl)methyl]cyclohexane-1,4-diamine
CID 79115828

Frequently Asked Questions

What is the IUPAC name of 4-N,4-N-diethylcyclohexane-1,4-diamine;dihydrochloride?
The IUPAC name of 4-N,4-N-diethylcyclohexane-1,4-diamine;dihydrochloride (CID 53408661) is 4-N,4-N-diethylcyclohexane-1,4-diamine;dihydrochloride.
What is the SMILES notation for 4-N,4-N-diethylcyclohexane-1,4-diamine;dihydrochloride?
The canonical SMILES for 4-N,4-N-diethylcyclohexane-1,4-diamine;dihydrochloride is CCN(CC)C1CCC(N)CC1.Cl.Cl.
What is the InChIKey of 4-N,4-N-diethylcyclohexane-1,4-diamine;dihydrochloride?
The InChIKey is JSGOAXICWAZNHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2.2ClH/c1-3-12(4-2)10-7-5-9(11)6-8-10;;/h9-10H,3-8,11H2,1-2H3;2*1H.
What are the key properties of 4-N,4-N-diethylcyclohexane-1,4-diamine;dihydrochloride?
4-N,4-N-diethylcyclohexane-1,4-diamine;dihydrochloride has a molecular weight of 243.22 g/mol, XLogP of 2.44, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,4-N-diethylcyclohexane-1,4-diamine;dihydrochloride is sourced from PubChem (CID 53408661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).