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

C16H27N3 — CID 43690400

IUPAC2-N,2-N-dimethyl-5-N-(4-propylcyclohexyl)pyridine-2,5-diamine
SMILESCCCC1CCC(Nc2ccc(N(C)C)nc2)CC1
InChIInChI=1S/C16H27N3/c1-4-5-13-6-8-14(9-7-13)18-15-10-11-16(17-12-15)19(2)3/h10-14,18H,4-9H2,1-3H3
InChIKeyAYYGUKSXIGDTMJ-UHFFFAOYSA-N
MW261.41 g/mol
LogP3.92
Rot. Bonds5

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

2-N,2-N-dimethyl-5-N-(4-propylcyclohexyl)pyridine-2,5-diamine (PubChem CID 43690400) 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-(4-propylcyclohexyl)pyridine-2,5-diamine.

Molecular Properties

Compound Name2-N,2-N-dimethyl-5-N-(4-propylcyclohexyl)pyridine-2,5-diamine
PubChem CID43690400
Molecular FormulaC16H27N3
Molecular Weight261.41 g/mol
Exact Mass261.22
IUPAC Name2-N,2-N-dimethyl-5-N-(4-propylcyclohexyl)pyridine-2,5-diamine
SMILESCCCC1CCC(Nc2ccc(N(C)C)nc2)CC1
InChIInChI=1S/C16H27N3/c1-4-5-13-6-8-14(9-7-13)18-15-10-11-16(17-12-15)19(2)3/h10-14,18H,4-9H2,1-3H3
InChIKeyAYYGUKSXIGDTMJ-UHFFFAOYSA-N
XLogP3.92
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 53.92
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-(4-propylcyclohexyl)pyridine-2,5-diamine?
The IUPAC name of 2-N,2-N-dimethyl-5-N-(4-propylcyclohexyl)pyridine-2,5-diamine (CID 43690400) is 2-N,2-N-dimethyl-5-N-(4-propylcyclohexyl)pyridine-2,5-diamine.
What is the SMILES notation for 2-N,2-N-dimethyl-5-N-(4-propylcyclohexyl)pyridine-2,5-diamine?
The canonical SMILES for 2-N,2-N-dimethyl-5-N-(4-propylcyclohexyl)pyridine-2,5-diamine is CCCC1CCC(Nc2ccc(N(C)C)nc2)CC1.
What is the InChIKey of 2-N,2-N-dimethyl-5-N-(4-propylcyclohexyl)pyridine-2,5-diamine?
The InChIKey is AYYGUKSXIGDTMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3/c1-4-5-13-6-8-14(9-7-13)18-15-10-11-16(17-12-15)19(2)3/h10-14,18H,4-9H2,1-3H3.
What are the key properties of 2-N,2-N-dimethyl-5-N-(4-propylcyclohexyl)pyridine-2,5-diamine?
2-N,2-N-dimethyl-5-N-(4-propylcyclohexyl)pyridine-2,5-diamine has a molecular weight of 261.41 g/mol, XLogP of 3.92, 5 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-(4-propylcyclohexyl)pyridine-2,5-diamine is sourced from PubChem (CID 43690400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).