3-(cyclohexylmethyl)-3-methyl-2H-pyridine-2,5-diamine

C13H23N3 — CID 69268699

IUPAC3-(cyclohexylmethyl)-3-methyl-2H-pyridine-2,5-diamine
SMILESCC1(CC2CCCCC2)C=C(N)C=NC1N
InChIInChI=1S/C13H23N3/c1-13(7-10-5-3-2-4-6-10)8-11(14)9-16-12(13)15/h8-10,12H,2-7,14-15H2,1H3
InChIKeyYMADLKQWYNOKTA-UHFFFAOYSA-N
MW221.35 g/mol
LogP2.17
Rot. Bonds2

About 3-(cyclohexylmethyl)-3-methyl-2H-pyridine-2,5-diamine

3-(cyclohexylmethyl)-3-methyl-2H-pyridine-2,5-diamine (PubChem CID 69268699) has the molecular formula C13H23N3 and a molecular weight of 221.35 g/mol. Its IUPAC name is 3-(cyclohexylmethyl)-3-methyl-2H-pyridine-2,5-diamine.

Molecular Properties

Compound Name3-(cyclohexylmethyl)-3-methyl-2H-pyridine-2,5-diamine
PubChem CID69268699
Molecular FormulaC13H23N3
Molecular Weight221.35 g/mol
Exact Mass221.19
IUPAC Name3-(cyclohexylmethyl)-3-methyl-2H-pyridine-2,5-diamine
SMILESCC1(CC2CCCCC2)C=C(N)C=NC1N
InChIInChI=1S/C13H23N3/c1-13(7-10-5-3-2-4-6-10)8-11(14)9-16-12(13)15/h8-10,12H,2-7,14-15H2,1H3
InChIKeyYMADLKQWYNOKTA-UHFFFAOYSA-N
XLogP2.17
TPSA64.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.35
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(cyclohexylmethyl)-3-methyl-2H-pyridine-2,5-diamine?
The IUPAC name of 3-(cyclohexylmethyl)-3-methyl-2H-pyridine-2,5-diamine (CID 69268699) is 3-(cyclohexylmethyl)-3-methyl-2H-pyridine-2,5-diamine.
What is the SMILES notation for 3-(cyclohexylmethyl)-3-methyl-2H-pyridine-2,5-diamine?
The canonical SMILES for 3-(cyclohexylmethyl)-3-methyl-2H-pyridine-2,5-diamine is CC1(CC2CCCCC2)C=C(N)C=NC1N.
What is the InChIKey of 3-(cyclohexylmethyl)-3-methyl-2H-pyridine-2,5-diamine?
The InChIKey is YMADLKQWYNOKTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3/c1-13(7-10-5-3-2-4-6-10)8-11(14)9-16-12(13)15/h8-10,12H,2-7,14-15H2,1H3.
What are the key properties of 3-(cyclohexylmethyl)-3-methyl-2H-pyridine-2,5-diamine?
3-(cyclohexylmethyl)-3-methyl-2H-pyridine-2,5-diamine has a molecular weight of 221.35 g/mol, XLogP of 2.17, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclohexylmethyl)-3-methyl-2H-pyridine-2,5-diamine is sourced from PubChem (CID 69268699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).