1-N-ethyl-4-N-methyl-4-N-pyridin-4-ylcyclohexane-1,4-diamine

C14H23N3 — CID 79122529

IUPAC1-N-ethyl-4-N-methyl-4-N-pyridin-4-ylcyclohexane-1,4-diamine
SMILESCCNC1CCC(N(C)c2ccncc2)CC1
InChIInChI=1S/C14H23N3/c1-3-16-12-4-6-13(7-5-12)17(2)14-8-10-15-11-9-14/h8-13,16H,3-7H2,1-2H3
InChIKeyQFOIHBGCHHUGIH-UHFFFAOYSA-N
MW233.36 g/mol
LogP2.44
Rot. Bonds4

About 1-N-ethyl-4-N-methyl-4-N-pyridin-4-ylcyclohexane-1,4-diamine

1-N-ethyl-4-N-methyl-4-N-pyridin-4-ylcyclohexane-1,4-diamine (PubChem CID 79122529) has the molecular formula C14H23N3 and a molecular weight of 233.36 g/mol. Its IUPAC name is 1-N-ethyl-4-N-methyl-4-N-pyridin-4-ylcyclohexane-1,4-diamine.

Molecular Properties

Compound Name1-N-ethyl-4-N-methyl-4-N-pyridin-4-ylcyclohexane-1,4-diamine
PubChem CID79122529
Molecular FormulaC14H23N3
Molecular Weight233.36 g/mol
Exact Mass233.19
IUPAC Name1-N-ethyl-4-N-methyl-4-N-pyridin-4-ylcyclohexane-1,4-diamine
SMILESCCNC1CCC(N(C)c2ccncc2)CC1
InChIInChI=1S/C14H23N3/c1-3-16-12-4-6-13(7-5-12)17(2)14-8-10-15-11-9-14/h8-13,16H,3-7H2,1-2H3
InChIKeyQFOIHBGCHHUGIH-UHFFFAOYSA-N
XLogP2.44
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-N-ethyl-4-N-methyl-4-N-(3-methyl-2-pyridinyl)cyclohexane-1,4-diamine
CID 79122605
ethyl 4-[methyl(pyridin-4-yl)amino]cyclohexane-1-carboxylate
CID 115149189
2-[(cyclopropylamino)methyl]-N-(4-ethylcyclohexyl)-N-methylpyridin-4-amine
CID 62288523
2-[[4-(ethylamino)cyclohexyl]-methylamino]benzonitrile
CID 114763507
N-ethyl-1-(1-pyridin-4-ylethyl)piperidin-4-amine
CID 60860637
N-methyl-N-[4-(propylamino)cyclohexyl]pyridine-4-carboxamide
CID 79122871
N-ethylcyclopropanamine;hydrochloride
CID 43810659
2-[[4-(4-fluoro-N-methylanilino)cyclohexyl]amino]ethanol
CID 70610902
3-[[4-(ethylamino)cyclohexyl]-methylamino]propane-1,2-diol
CID 82842720
4-N-[(1-butan-2-ylpyrazol-3-yl)methyl]-1-N-ethyl-4-N-methylcyclohexane-1,4-diamine
CID 79116958
4-N-(cyclopentylmethyl)-1-N-ethyl-4-N-methylcyclohexane-1,4-diamine
CID 79123042
1-N-ethyl-4-N-methyl-4-N-prop-2-enylcyclohexane-1,4-diamine
CID 102662655

Frequently Asked Questions

What is the IUPAC name of 1-N-ethyl-4-N-methyl-4-N-pyridin-4-ylcyclohexane-1,4-diamine?
The IUPAC name of 1-N-ethyl-4-N-methyl-4-N-pyridin-4-ylcyclohexane-1,4-diamine (CID 79122529) is 1-N-ethyl-4-N-methyl-4-N-pyridin-4-ylcyclohexane-1,4-diamine.
What is the SMILES notation for 1-N-ethyl-4-N-methyl-4-N-pyridin-4-ylcyclohexane-1,4-diamine?
The canonical SMILES for 1-N-ethyl-4-N-methyl-4-N-pyridin-4-ylcyclohexane-1,4-diamine is CCNC1CCC(N(C)c2ccncc2)CC1.
What is the InChIKey of 1-N-ethyl-4-N-methyl-4-N-pyridin-4-ylcyclohexane-1,4-diamine?
The InChIKey is QFOIHBGCHHUGIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3/c1-3-16-12-4-6-13(7-5-12)17(2)14-8-10-15-11-9-14/h8-13,16H,3-7H2,1-2H3.
What are the key properties of 1-N-ethyl-4-N-methyl-4-N-pyridin-4-ylcyclohexane-1,4-diamine?
1-N-ethyl-4-N-methyl-4-N-pyridin-4-ylcyclohexane-1,4-diamine has a molecular weight of 233.36 g/mol, XLogP of 2.44, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-ethyl-4-N-methyl-4-N-pyridin-4-ylcyclohexane-1,4-diamine is sourced from PubChem (CID 79122529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).