4-N-(5-methyl-2-pyridinyl)cyclohexane-1,4-diamine;dihydrochloride

C12H21Cl2N3 — CID 86694119

IUPAC4-N-(5-methyl-2-pyridinyl)cyclohexane-1,4-diamine;dihydrochloride
SMILESCc1ccc(NC2CCC(N)CC2)nc1.Cl.Cl
InChIInChI=1S/C12H19N3.2ClH/c1-9-2-7-12(14-8-9)15-11-5-3-10(13)4-6-11;;/h2,7-8,10-11H,3-6,13H2,1H3,(H,14,15);2*1H
InChIKeyCSBXULNMBSWZGC-UHFFFAOYSA-N
MW278.23 g/mol
LogP2.92
Rot. Bonds2

About 4-N-(5-methyl-2-pyridinyl)cyclohexane-1,4-diamine;dihydrochloride

4-N-(5-methyl-2-pyridinyl)cyclohexane-1,4-diamine;dihydrochloride (PubChem CID 86694119) has the molecular formula C12H21Cl2N3 and a molecular weight of 278.23 g/mol. Its IUPAC name is 4-N-(5-methyl-2-pyridinyl)cyclohexane-1,4-diamine;dihydrochloride.

Molecular Properties

Compound Name4-N-(5-methyl-2-pyridinyl)cyclohexane-1,4-diamine;dihydrochloride
PubChem CID86694119
Molecular FormulaC12H21Cl2N3
Molecular Weight278.23 g/mol
Exact Mass277.11
IUPAC Name4-N-(5-methyl-2-pyridinyl)cyclohexane-1,4-diamine;dihydrochloride
SMILESCc1ccc(NC2CCC(N)CC2)nc1.Cl.Cl
InChIInChI=1S/C12H19N3.2ClH/c1-9-2-7-12(14-8-9)15-11-5-3-10(13)4-6-11;;/h2,7-8,10-11H,3-6,13H2,1H3,(H,14,15);2*1H
InChIKeyCSBXULNMBSWZGC-UHFFFAOYSA-N
XLogP2.92
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.23
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-N-(5-tert-butyl-2-pyridinyl)cyclohexane-1,4-diamine
CID 114011527
4-N-tert-butyl-1-N-(5-methyl-2-pyridinyl)cyclohexane-1,4-diamine
CID 155222928
4-N-(5-fluoro-2-pyridinyl)cyclohexane-1,4-diamine
CID 62312959
4-[(5-methyl-2-pyridinyl)amino]cyclohexane-1-carboxylic acid
CID 66279255
4-N-(5-methylpyrimidin-2-yl)cyclohexane-1,4-diamine
CID 63208372
N-(5-methyl-2-pyridinyl)azepan-4-amine
CID 107173810
6-[(4-aminocyclohexyl)amino]pyridine-3-carboxamide
CID 58337929
6-[(4-aminocyclohexyl)amino]pyridine-3-sulfonamide
CID 62321102
5-methyl-N-(3-methylsulfanylcyclopentyl)pyridin-2-amine
CID 103704113
5-methyl-N-[(3R)-pyrrolidin-3-yl]pyridin-2-amine
CID 68833864
cis-(1S,2R)-1-N-(5-methyl-2-pyridinyl)cyclopentane-1,2-diamine
CID 159909589
4-N-(5-nitro-2-pyridinyl)cyclohexane-1,4-diamine
CID 22591359

Frequently Asked Questions

What is the IUPAC name of 4-N-(5-methyl-2-pyridinyl)cyclohexane-1,4-diamine;dihydrochloride?
The IUPAC name of 4-N-(5-methyl-2-pyridinyl)cyclohexane-1,4-diamine;dihydrochloride (CID 86694119) is 4-N-(5-methyl-2-pyridinyl)cyclohexane-1,4-diamine;dihydrochloride.
What is the SMILES notation for 4-N-(5-methyl-2-pyridinyl)cyclohexane-1,4-diamine;dihydrochloride?
The canonical SMILES for 4-N-(5-methyl-2-pyridinyl)cyclohexane-1,4-diamine;dihydrochloride is Cc1ccc(NC2CCC(N)CC2)nc1.Cl.Cl.
What is the InChIKey of 4-N-(5-methyl-2-pyridinyl)cyclohexane-1,4-diamine;dihydrochloride?
The InChIKey is CSBXULNMBSWZGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3.2ClH/c1-9-2-7-12(14-8-9)15-11-5-3-10(13)4-6-11;;/h2,7-8,10-11H,3-6,13H2,1H3,(H,14,15);2*1H.
What are the key properties of 4-N-(5-methyl-2-pyridinyl)cyclohexane-1,4-diamine;dihydrochloride?
4-N-(5-methyl-2-pyridinyl)cyclohexane-1,4-diamine;dihydrochloride has a molecular weight of 278.23 g/mol, XLogP of 2.92, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(5-methyl-2-pyridinyl)cyclohexane-1,4-diamine;dihydrochloride is sourced from PubChem (CID 86694119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).