2-(aminomethyl)-N-(4-ethylcyclohexyl)-N-methylpyridin-4-amine

C15H25N3 — CID 55125544

IUPAC2-(aminomethyl)-N-(4-ethylcyclohexyl)-N-methylpyridin-4-amine
SMILESCCC1CCC(N(C)c2ccnc(CN)c2)CC1
InChIInChI=1S/C15H25N3/c1-3-12-4-6-14(7-5-12)18(2)15-8-9-17-13(10-15)11-16/h8-10,12,14H,3-7,11,16H2,1-2H3
InChIKeyCFIBOPMTCUHYEU-UHFFFAOYSA-N
MW247.39 g/mol
LogP2.95
Rot. Bonds4

About 2-(aminomethyl)-N-(4-ethylcyclohexyl)-N-methylpyridin-4-amine

2-(aminomethyl)-N-(4-ethylcyclohexyl)-N-methylpyridin-4-amine (PubChem CID 55125544) has the molecular formula C15H25N3 and a molecular weight of 247.39 g/mol. Its IUPAC name is 2-(aminomethyl)-N-(4-ethylcyclohexyl)-N-methylpyridin-4-amine.

Molecular Properties

Compound Name2-(aminomethyl)-N-(4-ethylcyclohexyl)-N-methylpyridin-4-amine
PubChem CID55125544
Molecular FormulaC15H25N3
Molecular Weight247.39 g/mol
Exact Mass247.20
IUPAC Name2-(aminomethyl)-N-(4-ethylcyclohexyl)-N-methylpyridin-4-amine
SMILESCCC1CCC(N(C)c2ccnc(CN)c2)CC1
InChIInChI=1S/C15H25N3/c1-3-12-4-6-14(7-5-12)18(2)15-8-9-17-13(10-15)11-16/h8-10,12,14H,3-7,11,16H2,1-2H3
InChIKeyCFIBOPMTCUHYEU-UHFFFAOYSA-N
XLogP2.95
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.39
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-(4-ethylcyclohexyl)-N-methylpyridin-4-amine?
The IUPAC name of 2-(aminomethyl)-N-(4-ethylcyclohexyl)-N-methylpyridin-4-amine (CID 55125544) is 2-(aminomethyl)-N-(4-ethylcyclohexyl)-N-methylpyridin-4-amine.
What is the SMILES notation for 2-(aminomethyl)-N-(4-ethylcyclohexyl)-N-methylpyridin-4-amine?
The canonical SMILES for 2-(aminomethyl)-N-(4-ethylcyclohexyl)-N-methylpyridin-4-amine is CCC1CCC(N(C)c2ccnc(CN)c2)CC1.
What is the InChIKey of 2-(aminomethyl)-N-(4-ethylcyclohexyl)-N-methylpyridin-4-amine?
The InChIKey is CFIBOPMTCUHYEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3/c1-3-12-4-6-14(7-5-12)18(2)15-8-9-17-13(10-15)11-16/h8-10,12,14H,3-7,11,16H2,1-2H3.
What are the key properties of 2-(aminomethyl)-N-(4-ethylcyclohexyl)-N-methylpyridin-4-amine?
2-(aminomethyl)-N-(4-ethylcyclohexyl)-N-methylpyridin-4-amine has a molecular weight of 247.39 g/mol, XLogP of 2.95, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-(4-ethylcyclohexyl)-N-methylpyridin-4-amine is sourced from PubChem (CID 55125544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).