2-N,6-N-dimethyl-6-N-(3-methylcyclohexyl)pyridine-2,6-diamine

C14H23N3 — CID 80799265

IUPAC2-N,6-N-dimethyl-6-N-(3-methylcyclohexyl)pyridine-2,6-diamine
SMILESCNc1cccc(N(C)C2CCCC(C)C2)n1
InChIInChI=1S/C14H23N3/c1-11-6-4-7-12(10-11)17(3)14-9-5-8-13(15-2)16-14/h5,8-9,11-12H,4,6-7,10H2,1-3H3,(H,15,16)
InChIKeySMQPVAUHVUTXBW-UHFFFAOYSA-N
MW233.36 g/mol
LogP3.14
Rot. Bonds3

About 2-N,6-N-dimethyl-6-N-(3-methylcyclohexyl)pyridine-2,6-diamine

2-N,6-N-dimethyl-6-N-(3-methylcyclohexyl)pyridine-2,6-diamine (PubChem CID 80799265) has the molecular formula C14H23N3 and a molecular weight of 233.36 g/mol. Its IUPAC name is 2-N,6-N-dimethyl-6-N-(3-methylcyclohexyl)pyridine-2,6-diamine.

Molecular Properties

Compound Name2-N,6-N-dimethyl-6-N-(3-methylcyclohexyl)pyridine-2,6-diamine
PubChem CID80799265
Molecular FormulaC14H23N3
Molecular Weight233.36 g/mol
Exact Mass233.19
IUPAC Name2-N,6-N-dimethyl-6-N-(3-methylcyclohexyl)pyridine-2,6-diamine
SMILESCNc1cccc(N(C)C2CCCC(C)C2)n1
InChIInChI=1S/C14H23N3/c1-11-6-4-7-12(10-11)17(3)14-9-5-8-13(15-2)16-14/h5,8-9,11-12H,4,6-7,10H2,1-3H3,(H,15,16)
InChIKeySMQPVAUHVUTXBW-UHFFFAOYSA-N
XLogP3.14
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-N,6-N-dimethyl-6-N-(3-methylcyclohexyl)pyridine-2,6-diamine?
The IUPAC name of 2-N,6-N-dimethyl-6-N-(3-methylcyclohexyl)pyridine-2,6-diamine (CID 80799265) is 2-N,6-N-dimethyl-6-N-(3-methylcyclohexyl)pyridine-2,6-diamine.
What is the SMILES notation for 2-N,6-N-dimethyl-6-N-(3-methylcyclohexyl)pyridine-2,6-diamine?
The canonical SMILES for 2-N,6-N-dimethyl-6-N-(3-methylcyclohexyl)pyridine-2,6-diamine is CNc1cccc(N(C)C2CCCC(C)C2)n1.
What is the InChIKey of 2-N,6-N-dimethyl-6-N-(3-methylcyclohexyl)pyridine-2,6-diamine?
The InChIKey is SMQPVAUHVUTXBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3/c1-11-6-4-7-12(10-11)17(3)14-9-5-8-13(15-2)16-14/h5,8-9,11-12H,4,6-7,10H2,1-3H3,(H,15,16).
What are the key properties of 2-N,6-N-dimethyl-6-N-(3-methylcyclohexyl)pyridine-2,6-diamine?
2-N,6-N-dimethyl-6-N-(3-methylcyclohexyl)pyridine-2,6-diamine has a molecular weight of 233.36 g/mol, XLogP of 3.14, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,6-N-dimethyl-6-N-(3-methylcyclohexyl)pyridine-2,6-diamine is sourced from PubChem (CID 80799265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).