1-N-ethyl-1-N-(pyridin-4-ylmethyl)cyclohexane-1,3-diamine

C14H23N3 — CID 79468184

IUPAC1-N-ethyl-1-N-(pyridin-4-ylmethyl)cyclohexane-1,3-diamine
SMILESCCN(Cc1ccncc1)C1CCCC(N)C1
InChIInChI=1S/C14H23N3/c1-2-17(11-12-6-8-16-9-7-12)14-5-3-4-13(15)10-14/h6-9,13-14H,2-5,10-11,15H2,1H3
InChIKeyBPISZEDLJFZHJF-UHFFFAOYSA-N
MW233.36 g/mol
LogP2.17
Rot. Bonds4

About 1-N-ethyl-1-N-(pyridin-4-ylmethyl)cyclohexane-1,3-diamine

1-N-ethyl-1-N-(pyridin-4-ylmethyl)cyclohexane-1,3-diamine (PubChem CID 79468184) has the molecular formula C14H23N3 and a molecular weight of 233.36 g/mol. Its IUPAC name is 1-N-ethyl-1-N-(pyridin-4-ylmethyl)cyclohexane-1,3-diamine.

Molecular Properties

Compound Name1-N-ethyl-1-N-(pyridin-4-ylmethyl)cyclohexane-1,3-diamine
PubChem CID79468184
Molecular FormulaC14H23N3
Molecular Weight233.36 g/mol
Exact Mass233.19
IUPAC Name1-N-ethyl-1-N-(pyridin-4-ylmethyl)cyclohexane-1,3-diamine
SMILESCCN(Cc1ccncc1)C1CCCC(N)C1
InChIInChI=1S/C14H23N3/c1-2-17(11-12-6-8-16-9-7-12)14-5-3-4-13(15)10-14/h6-9,13-14H,2-5,10-11,15H2,1H3
InChIKeyBPISZEDLJFZHJF-UHFFFAOYSA-N
XLogP2.17
TPSA42.15 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 ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-N-ethyl-2-N-(pyridin-4-ylmethyl)cyclohexane-1,2-diamine
CID 61451044
trans-(1R,2R)-2-[ethyl(pyridin-4-ylmethyl)amino]cyclopentan-1-ol
CID 102734522
N-ethyl-N-(pyridin-4-ylmethyl)azetidin-3-amine;trihydrochloride
CID 146064325
1-N-[(4-ethylphenyl)methyl]-1-N-methylcyclohexane-1,3-diamine
CID 79468037
3-[ethyl(pyridin-4-ylmethyl)amino]-N,N-dimethylpiperidine-1-sulfonamide
CID 45215887
N-[(4-aminophenyl)methyl]-N-ethylcycloheptanamine
CID 82929453
N-(2-bromoethyl)-N-(pyridin-4-ylmethyl)cyclobutanamine
CID 102861074
4-N-ethyl-4-N-(pyridin-3-ylmethyl)cyclohexane-1,4-diamine
CID 79116173
2-[cyclopentyl(pyridin-4-ylmethyl)amino]ethanol
CID 62014276
1-N,1-N-bis(pyridin-2-ylmethyl)cyclohexane-1,3-diamine
CID 70873996
3-[(3-aminocyclohexyl)-(pyridin-3-ylmethyl)amino]propanenitrile
CID 79468158
4-amino-1-[4-[[[(1S)-3-aminocyclopentyl]-ethylamino]methyl]phenyl]pyrimidin-2-one
CID 154651541

Frequently Asked Questions

What is the IUPAC name of 1-N-ethyl-1-N-(pyridin-4-ylmethyl)cyclohexane-1,3-diamine?
The IUPAC name of 1-N-ethyl-1-N-(pyridin-4-ylmethyl)cyclohexane-1,3-diamine (CID 79468184) is 1-N-ethyl-1-N-(pyridin-4-ylmethyl)cyclohexane-1,3-diamine.
What is the SMILES notation for 1-N-ethyl-1-N-(pyridin-4-ylmethyl)cyclohexane-1,3-diamine?
The canonical SMILES for 1-N-ethyl-1-N-(pyridin-4-ylmethyl)cyclohexane-1,3-diamine is CCN(Cc1ccncc1)C1CCCC(N)C1.
What is the InChIKey of 1-N-ethyl-1-N-(pyridin-4-ylmethyl)cyclohexane-1,3-diamine?
The InChIKey is BPISZEDLJFZHJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3/c1-2-17(11-12-6-8-16-9-7-12)14-5-3-4-13(15)10-14/h6-9,13-14H,2-5,10-11,15H2,1H3.
What are the key properties of 1-N-ethyl-1-N-(pyridin-4-ylmethyl)cyclohexane-1,3-diamine?
1-N-ethyl-1-N-(pyridin-4-ylmethyl)cyclohexane-1,3-diamine has a molecular weight of 233.36 g/mol, XLogP of 2.17, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-ethyl-1-N-(pyridin-4-ylmethyl)cyclohexane-1,3-diamine is sourced from PubChem (CID 79468184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).