N'-cyclohexyl-N'-pyridin-4-ylpropane-1,3-diamine

C14H23N3 — CID 43137168

IUPACN'-cyclohexyl-N'-pyridin-4-ylpropane-1,3-diamine
SMILESNCCCN(c1ccncc1)C1CCCCC1
InChIInChI=1S/C14H23N3/c15-9-4-12-17(13-5-2-1-3-6-13)14-7-10-16-11-8-14/h7-8,10-11,13H,1-6,9,12,15H2
InChIKeyQVVIJVHOKZGRAR-UHFFFAOYSA-N
MW233.36 g/mol
LogP2.57
Rot. Bonds5

About N'-cyclohexyl-N'-pyridin-4-ylpropane-1,3-diamine

N'-cyclohexyl-N'-pyridin-4-ylpropane-1,3-diamine (PubChem CID 43137168) has the molecular formula C14H23N3 and a molecular weight of 233.36 g/mol. Its IUPAC name is N'-cyclohexyl-N'-pyridin-4-ylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-cyclohexyl-N'-pyridin-4-ylpropane-1,3-diamine
PubChem CID43137168
Molecular FormulaC14H23N3
Molecular Weight233.36 g/mol
Exact Mass233.19
IUPAC NameN'-cyclohexyl-N'-pyridin-4-ylpropane-1,3-diamine
SMILESNCCCN(c1ccncc1)C1CCCCC1
InChIInChI=1S/C14H23N3/c15-9-4-12-17(13-5-2-1-3-6-13)14-7-10-16-11-8-14/h7-8,10-11,13H,1-6,9,12,15H2
InChIKeyQVVIJVHOKZGRAR-UHFFFAOYSA-N
XLogP2.57
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N'-cyclohexyl-N'-pyridin-4-ylpropane-1,3-diamine?
The IUPAC name of N'-cyclohexyl-N'-pyridin-4-ylpropane-1,3-diamine (CID 43137168) is N'-cyclohexyl-N'-pyridin-4-ylpropane-1,3-diamine.
What is the SMILES notation for N'-cyclohexyl-N'-pyridin-4-ylpropane-1,3-diamine?
The canonical SMILES for N'-cyclohexyl-N'-pyridin-4-ylpropane-1,3-diamine is NCCCN(c1ccncc1)C1CCCCC1.
What is the InChIKey of N'-cyclohexyl-N'-pyridin-4-ylpropane-1,3-diamine?
The InChIKey is QVVIJVHOKZGRAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3/c15-9-4-12-17(13-5-2-1-3-6-13)14-7-10-16-11-8-14/h7-8,10-11,13H,1-6,9,12,15H2.
What are the key properties of N'-cyclohexyl-N'-pyridin-4-ylpropane-1,3-diamine?
N'-cyclohexyl-N'-pyridin-4-ylpropane-1,3-diamine has a molecular weight of 233.36 g/mol, XLogP of 2.57, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclohexyl-N'-pyridin-4-ylpropane-1,3-diamine is sourced from PubChem (CID 43137168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).