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

C15H25N3 — CID 54947942

IUPAC3-(aminomethyl)-N-(4-ethylcyclohexyl)-N-methylpyridin-2-amine
SMILESCCC1CCC(N(C)c2ncccc2CN)CC1
InChIInChI=1S/C15H25N3/c1-3-12-6-8-14(9-7-12)18(2)15-13(11-16)5-4-10-17-15/h4-5,10,12,14H,3,6-9,11,16H2,1-2H3
InChIKeyCZGPKDKPZBJMTI-UHFFFAOYSA-N
MW247.39 g/mol
LogP2.95
Rot. Bonds4

About 3-(aminomethyl)-N-(4-ethylcyclohexyl)-N-methylpyridin-2-amine

3-(aminomethyl)-N-(4-ethylcyclohexyl)-N-methylpyridin-2-amine (PubChem CID 54947942) has the molecular formula C15H25N3 and a molecular weight of 247.39 g/mol. Its IUPAC name is 3-(aminomethyl)-N-(4-ethylcyclohexyl)-N-methylpyridin-2-amine.

Molecular Properties

Compound Name3-(aminomethyl)-N-(4-ethylcyclohexyl)-N-methylpyridin-2-amine
PubChem CID54947942
Molecular FormulaC15H25N3
Molecular Weight247.39 g/mol
Exact Mass247.20
IUPAC Name3-(aminomethyl)-N-(4-ethylcyclohexyl)-N-methylpyridin-2-amine
SMILESCCC1CCC(N(C)c2ncccc2CN)CC1
InChIInChI=1S/C15H25N3/c1-3-12-6-8-14(9-7-12)18(2)15-13(11-16)5-4-10-17-15/h4-5,10,12,14H,3,6-9,11,16H2,1-2H3
InChIKeyCZGPKDKPZBJMTI-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 3-(aminomethyl)-N-(4-ethylcyclohexyl)-N-methylpyridin-2-amine?
The IUPAC name of 3-(aminomethyl)-N-(4-ethylcyclohexyl)-N-methylpyridin-2-amine (CID 54947942) is 3-(aminomethyl)-N-(4-ethylcyclohexyl)-N-methylpyridin-2-amine.
What is the SMILES notation for 3-(aminomethyl)-N-(4-ethylcyclohexyl)-N-methylpyridin-2-amine?
The canonical SMILES for 3-(aminomethyl)-N-(4-ethylcyclohexyl)-N-methylpyridin-2-amine is CCC1CCC(N(C)c2ncccc2CN)CC1.
What is the InChIKey of 3-(aminomethyl)-N-(4-ethylcyclohexyl)-N-methylpyridin-2-amine?
The InChIKey is CZGPKDKPZBJMTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3/c1-3-12-6-8-14(9-7-12)18(2)15-13(11-16)5-4-10-17-15/h4-5,10,12,14H,3,6-9,11,16H2,1-2H3.
What are the key properties of 3-(aminomethyl)-N-(4-ethylcyclohexyl)-N-methylpyridin-2-amine?
3-(aminomethyl)-N-(4-ethylcyclohexyl)-N-methylpyridin-2-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 3-(aminomethyl)-N-(4-ethylcyclohexyl)-N-methylpyridin-2-amine is sourced from PubChem (CID 54947942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).