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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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).