2-N,2-N-dimethyl-5-N-(2,4,4-trimethylcyclohexyl)pyridine-2,5-diamine

C16H27N3 — CID 81320943

IUPAC2-N,2-N-dimethyl-5-N-(2,4,4-trimethylcyclohexyl)pyridine-2,5-diamine
SMILESCC1CC(C)(C)CCC1Nc1ccc(N(C)C)nc1
InChIInChI=1S/C16H27N3/c1-12-10-16(2,3)9-8-14(12)18-13-6-7-15(17-11-13)19(4)5/h6-7,11-12,14,18H,8-10H2,1-5H3
InChIKeyRKKYSFRKDQVFGS-UHFFFAOYSA-N
MW261.41 g/mol
LogP3.77
Rot. Bonds3

About 2-N,2-N-dimethyl-5-N-(2,4,4-trimethylcyclohexyl)pyridine-2,5-diamine

2-N,2-N-dimethyl-5-N-(2,4,4-trimethylcyclohexyl)pyridine-2,5-diamine (PubChem CID 81320943) has the molecular formula C16H27N3 and a molecular weight of 261.41 g/mol. Its IUPAC name is 2-N,2-N-dimethyl-5-N-(2,4,4-trimethylcyclohexyl)pyridine-2,5-diamine.

Molecular Properties

Compound Name2-N,2-N-dimethyl-5-N-(2,4,4-trimethylcyclohexyl)pyridine-2,5-diamine
PubChem CID81320943
Molecular FormulaC16H27N3
Molecular Weight261.41 g/mol
Exact Mass261.22
IUPAC Name2-N,2-N-dimethyl-5-N-(2,4,4-trimethylcyclohexyl)pyridine-2,5-diamine
SMILESCC1CC(C)(C)CCC1Nc1ccc(N(C)C)nc1
InChIInChI=1S/C16H27N3/c1-12-10-16(2,3)9-8-14(12)18-13-6-7-15(17-11-13)19(4)5/h6-7,11-12,14,18H,8-10H2,1-5H3
InChIKeyRKKYSFRKDQVFGS-UHFFFAOYSA-N
XLogP3.77
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-N,2-N-dimethyl-5-N-(2,4,4-trimethylcyclohexyl)pyridine-2,5-diamine?
The IUPAC name of 2-N,2-N-dimethyl-5-N-(2,4,4-trimethylcyclohexyl)pyridine-2,5-diamine (CID 81320943) is 2-N,2-N-dimethyl-5-N-(2,4,4-trimethylcyclohexyl)pyridine-2,5-diamine.
What is the SMILES notation for 2-N,2-N-dimethyl-5-N-(2,4,4-trimethylcyclohexyl)pyridine-2,5-diamine?
The canonical SMILES for 2-N,2-N-dimethyl-5-N-(2,4,4-trimethylcyclohexyl)pyridine-2,5-diamine is CC1CC(C)(C)CCC1Nc1ccc(N(C)C)nc1.
What is the InChIKey of 2-N,2-N-dimethyl-5-N-(2,4,4-trimethylcyclohexyl)pyridine-2,5-diamine?
The InChIKey is RKKYSFRKDQVFGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3/c1-12-10-16(2,3)9-8-14(12)18-13-6-7-15(17-11-13)19(4)5/h6-7,11-12,14,18H,8-10H2,1-5H3.
What are the key properties of 2-N,2-N-dimethyl-5-N-(2,4,4-trimethylcyclohexyl)pyridine-2,5-diamine?
2-N,2-N-dimethyl-5-N-(2,4,4-trimethylcyclohexyl)pyridine-2,5-diamine has a molecular weight of 261.41 g/mol, XLogP of 3.77, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N-dimethyl-5-N-(2,4,4-trimethylcyclohexyl)pyridine-2,5-diamine is sourced from PubChem (CID 81320943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).