2-[[cyclohexyl(ethyl)amino]methyl]pyridin-4-amine

C14H23N3 — CID 79245632

IUPAC2-[[cyclohexyl(ethyl)amino]methyl]pyridin-4-amine
SMILESCCN(Cc1cc(N)ccn1)C1CCCCC1
InChIInChI=1S/C14H23N3/c1-2-17(14-6-4-3-5-7-14)11-13-10-12(15)8-9-16-13/h8-10,14H,2-7,11H2,1H3,(H2,15,16)
InChIKeyKMHXJEYXGYLFIP-UHFFFAOYSA-N
MW233.36 g/mol
LogP2.82
Rot. Bonds4

About 2-[[cyclohexyl(ethyl)amino]methyl]pyridin-4-amine

2-[[cyclohexyl(ethyl)amino]methyl]pyridin-4-amine (PubChem CID 79245632) has the molecular formula C14H23N3 and a molecular weight of 233.36 g/mol. Its IUPAC name is 2-[[cyclohexyl(ethyl)amino]methyl]pyridin-4-amine.

Molecular Properties

Compound Name2-[[cyclohexyl(ethyl)amino]methyl]pyridin-4-amine
PubChem CID79245632
Molecular FormulaC14H23N3
Molecular Weight233.36 g/mol
Exact Mass233.19
IUPAC Name2-[[cyclohexyl(ethyl)amino]methyl]pyridin-4-amine
SMILESCCN(Cc1cc(N)ccn1)C1CCCCC1
InChIInChI=1S/C14H23N3/c1-2-17(14-6-4-3-5-7-14)11-13-10-12(15)8-9-16-13/h8-10,14H,2-7,11H2,1H3,(H2,15,16)
InChIKeyKMHXJEYXGYLFIP-UHFFFAOYSA-N
XLogP2.82
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 ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[[cyclohexyl(ethyl)amino]methyl]pyridin-4-amine?
The IUPAC name of 2-[[cyclohexyl(ethyl)amino]methyl]pyridin-4-amine (CID 79245632) is 2-[[cyclohexyl(ethyl)amino]methyl]pyridin-4-amine.
What is the SMILES notation for 2-[[cyclohexyl(ethyl)amino]methyl]pyridin-4-amine?
The canonical SMILES for 2-[[cyclohexyl(ethyl)amino]methyl]pyridin-4-amine is CCN(Cc1cc(N)ccn1)C1CCCCC1.
What is the InChIKey of 2-[[cyclohexyl(ethyl)amino]methyl]pyridin-4-amine?
The InChIKey is KMHXJEYXGYLFIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3/c1-2-17(14-6-4-3-5-7-14)11-13-10-12(15)8-9-16-13/h8-10,14H,2-7,11H2,1H3,(H2,15,16).
What are the key properties of 2-[[cyclohexyl(ethyl)amino]methyl]pyridin-4-amine?
2-[[cyclohexyl(ethyl)amino]methyl]pyridin-4-amine has a molecular weight of 233.36 g/mol, XLogP of 2.82, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[cyclohexyl(ethyl)amino]methyl]pyridin-4-amine is sourced from PubChem (CID 79245632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).