3-methyl-2-N-[(4-methylcyclohexyl)methyl]pyridine-2,5-diamine

C14H23N3 — CID 55176213

IUPAC3-methyl-2-N-[(4-methylcyclohexyl)methyl]pyridine-2,5-diamine
SMILESCc1cc(N)cnc1NCC1CCC(C)CC1
InChIInChI=1S/C14H23N3/c1-10-3-5-12(6-4-10)8-16-14-11(2)7-13(15)9-17-14/h7,9-10,12H,3-6,8,15H2,1-2H3,(H,16,17)
InChIKeyIDELSIUHBSYXTF-UHFFFAOYSA-N
MW233.36 g/mol
LogP3.21
Rot. Bonds3

About 3-methyl-2-N-[(4-methylcyclohexyl)methyl]pyridine-2,5-diamine

3-methyl-2-N-[(4-methylcyclohexyl)methyl]pyridine-2,5-diamine (PubChem CID 55176213) has the molecular formula C14H23N3 and a molecular weight of 233.36 g/mol. Its IUPAC name is 3-methyl-2-N-[(4-methylcyclohexyl)methyl]pyridine-2,5-diamine.

Molecular Properties

Compound Name3-methyl-2-N-[(4-methylcyclohexyl)methyl]pyridine-2,5-diamine
PubChem CID55176213
Molecular FormulaC14H23N3
Molecular Weight233.36 g/mol
Exact Mass233.19
IUPAC Name3-methyl-2-N-[(4-methylcyclohexyl)methyl]pyridine-2,5-diamine
SMILESCc1cc(N)cnc1NCC1CCC(C)CC1
InChIInChI=1S/C14H23N3/c1-10-3-5-12(6-4-10)8-16-14-11(2)7-13(15)9-17-14/h7,9-10,12H,3-6,8,15H2,1-2H3,(H,16,17)
InChIKeyIDELSIUHBSYXTF-UHFFFAOYSA-N
XLogP3.21
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-N-[(4-methylcyclohexyl)methyl]pyridine-2,5-diamine?
The IUPAC name of 3-methyl-2-N-[(4-methylcyclohexyl)methyl]pyridine-2,5-diamine (CID 55176213) is 3-methyl-2-N-[(4-methylcyclohexyl)methyl]pyridine-2,5-diamine.
What is the SMILES notation for 3-methyl-2-N-[(4-methylcyclohexyl)methyl]pyridine-2,5-diamine?
The canonical SMILES for 3-methyl-2-N-[(4-methylcyclohexyl)methyl]pyridine-2,5-diamine is Cc1cc(N)cnc1NCC1CCC(C)CC1.
What is the InChIKey of 3-methyl-2-N-[(4-methylcyclohexyl)methyl]pyridine-2,5-diamine?
The InChIKey is IDELSIUHBSYXTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3/c1-10-3-5-12(6-4-10)8-16-14-11(2)7-13(15)9-17-14/h7,9-10,12H,3-6,8,15H2,1-2H3,(H,16,17).
What are the key properties of 3-methyl-2-N-[(4-methylcyclohexyl)methyl]pyridine-2,5-diamine?
3-methyl-2-N-[(4-methylcyclohexyl)methyl]pyridine-2,5-diamine has a molecular weight of 233.36 g/mol, XLogP of 3.21, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-N-[(4-methylcyclohexyl)methyl]pyridine-2,5-diamine is sourced from PubChem (CID 55176213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).