3-(3,3,5,5-tetramethylcyclohexyl)-2H-pyridine-3,4-diamine

C15H27N3 — CID 135260418

IUPAC3-(3,3,5,5-tetramethylcyclohexyl)-2H-pyridine-3,4-diamine
SMILESCC1(C)CC(C2(N)CN=CC=C2N)CC(C)(C)C1
InChIInChI=1S/C15H27N3/c1-13(2)7-11(8-14(3,4)9-13)15(17)10-18-6-5-12(15)16/h5-6,11H,7-10,16-17H2,1-4H3
InChIKeyFRZGCSNFYIWUCF-UHFFFAOYSA-N
MW249.40 g/mol
LogP2.46
Rot. Bonds1

About 3-(3,3,5,5-tetramethylcyclohexyl)-2H-pyridine-3,4-diamine

3-(3,3,5,5-tetramethylcyclohexyl)-2H-pyridine-3,4-diamine (PubChem CID 135260418) has the molecular formula C15H27N3 and a molecular weight of 249.40 g/mol. Its IUPAC name is 3-(3,3,5,5-tetramethylcyclohexyl)-2H-pyridine-3,4-diamine.

Molecular Properties

Compound Name3-(3,3,5,5-tetramethylcyclohexyl)-2H-pyridine-3,4-diamine
PubChem CID135260418
Molecular FormulaC15H27N3
Molecular Weight249.40 g/mol
Exact Mass249.22
IUPAC Name3-(3,3,5,5-tetramethylcyclohexyl)-2H-pyridine-3,4-diamine
SMILESCC1(C)CC(C2(N)CN=CC=C2N)CC(C)(C)C1
InChIInChI=1S/C15H27N3/c1-13(2)7-11(8-14(3,4)9-13)15(17)10-18-6-5-12(15)16/h5-6,11H,7-10,16-17H2,1-4H3
InChIKeyFRZGCSNFYIWUCF-UHFFFAOYSA-N
XLogP2.46
TPSA64.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(3,3,5,5-tetramethylcyclohexyl)-2H-pyridine-3,4-diamine?
The IUPAC name of 3-(3,3,5,5-tetramethylcyclohexyl)-2H-pyridine-3,4-diamine (CID 135260418) is 3-(3,3,5,5-tetramethylcyclohexyl)-2H-pyridine-3,4-diamine.
What is the SMILES notation for 3-(3,3,5,5-tetramethylcyclohexyl)-2H-pyridine-3,4-diamine?
The canonical SMILES for 3-(3,3,5,5-tetramethylcyclohexyl)-2H-pyridine-3,4-diamine is CC1(C)CC(C2(N)CN=CC=C2N)CC(C)(C)C1.
What is the InChIKey of 3-(3,3,5,5-tetramethylcyclohexyl)-2H-pyridine-3,4-diamine?
The InChIKey is FRZGCSNFYIWUCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3/c1-13(2)7-11(8-14(3,4)9-13)15(17)10-18-6-5-12(15)16/h5-6,11H,7-10,16-17H2,1-4H3.
What are the key properties of 3-(3,3,5,5-tetramethylcyclohexyl)-2H-pyridine-3,4-diamine?
3-(3,3,5,5-tetramethylcyclohexyl)-2H-pyridine-3,4-diamine has a molecular weight of 249.40 g/mol, XLogP of 2.46, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,3,5,5-tetramethylcyclohexyl)-2H-pyridine-3,4-diamine is sourced from PubChem (CID 135260418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).