4-(aminomethyl)-N-cyclohexyl-N-ethyl-6-methylpyridin-2-amine

C15H25N3 — CID 113379299

IUPAC4-(aminomethyl)-N-cyclohexyl-N-ethyl-6-methylpyridin-2-amine
SMILESCCN(c1cc(CN)cc(C)n1)C1CCCCC1
InChIInChI=1S/C15H25N3/c1-3-18(14-7-5-4-6-8-14)15-10-13(11-16)9-12(2)17-15/h9-10,14H,3-8,11,16H2,1-2H3
InChIKeyVLAAKXJSJXHZAK-UHFFFAOYSA-N
MW247.39 g/mol
LogP3.01
Rot. Bonds4

About 4-(aminomethyl)-N-cyclohexyl-N-ethyl-6-methylpyridin-2-amine

4-(aminomethyl)-N-cyclohexyl-N-ethyl-6-methylpyridin-2-amine (PubChem CID 113379299) has the molecular formula C15H25N3 and a molecular weight of 247.39 g/mol. Its IUPAC name is 4-(aminomethyl)-N-cyclohexyl-N-ethyl-6-methylpyridin-2-amine.

Molecular Properties

Compound Name4-(aminomethyl)-N-cyclohexyl-N-ethyl-6-methylpyridin-2-amine
PubChem CID113379299
Molecular FormulaC15H25N3
Molecular Weight247.39 g/mol
Exact Mass247.20
IUPAC Name4-(aminomethyl)-N-cyclohexyl-N-ethyl-6-methylpyridin-2-amine
SMILESCCN(c1cc(CN)cc(C)n1)C1CCCCC1
InChIInChI=1S/C15H25N3/c1-3-18(14-7-5-4-6-8-14)15-10-13(11-16)9-12(2)17-15/h9-10,14H,3-8,11,16H2,1-2H3
InChIKeyVLAAKXJSJXHZAK-UHFFFAOYSA-N
XLogP3.01
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 ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-cyclohexyl-N-ethyl-6-methylpyridin-2-amine?
The IUPAC name of 4-(aminomethyl)-N-cyclohexyl-N-ethyl-6-methylpyridin-2-amine (CID 113379299) is 4-(aminomethyl)-N-cyclohexyl-N-ethyl-6-methylpyridin-2-amine.
What is the SMILES notation for 4-(aminomethyl)-N-cyclohexyl-N-ethyl-6-methylpyridin-2-amine?
The canonical SMILES for 4-(aminomethyl)-N-cyclohexyl-N-ethyl-6-methylpyridin-2-amine is CCN(c1cc(CN)cc(C)n1)C1CCCCC1.
What is the InChIKey of 4-(aminomethyl)-N-cyclohexyl-N-ethyl-6-methylpyridin-2-amine?
The InChIKey is VLAAKXJSJXHZAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3/c1-3-18(14-7-5-4-6-8-14)15-10-13(11-16)9-12(2)17-15/h9-10,14H,3-8,11,16H2,1-2H3.
What are the key properties of 4-(aminomethyl)-N-cyclohexyl-N-ethyl-6-methylpyridin-2-amine?
4-(aminomethyl)-N-cyclohexyl-N-ethyl-6-methylpyridin-2-amine has a molecular weight of 247.39 g/mol, XLogP of 3.01, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-cyclohexyl-N-ethyl-6-methylpyridin-2-amine is sourced from PubChem (CID 113379299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).