5-bromo-2-N-(4-propylcyclohexyl)pyridine-2,3-diamine

C14H22BrN3 — CID 55185791

IUPAC5-bromo-2-N-(4-propylcyclohexyl)pyridine-2,3-diamine
SMILESCCCC1CCC(Nc2ncc(Br)cc2N)CC1
InChIInChI=1S/C14H22BrN3/c1-2-3-10-4-6-12(7-5-10)18-14-13(16)8-11(15)9-17-14/h8-10,12H,2-7,16H2,1H3,(H,17,18)
InChIKeySDNZJKXHJMDULH-UHFFFAOYSA-N
MW312.25 g/mol
LogP4.20
Rot. Bonds4

About 5-bromo-2-N-(4-propylcyclohexyl)pyridine-2,3-diamine

5-bromo-2-N-(4-propylcyclohexyl)pyridine-2,3-diamine (PubChem CID 55185791) has the molecular formula C14H22BrN3 and a molecular weight of 312.25 g/mol. Its IUPAC name is 5-bromo-2-N-(4-propylcyclohexyl)pyridine-2,3-diamine.

Molecular Properties

Compound Name5-bromo-2-N-(4-propylcyclohexyl)pyridine-2,3-diamine
PubChem CID55185791
Molecular FormulaC14H22BrN3
Molecular Weight312.25 g/mol
Exact Mass311.10
IUPAC Name5-bromo-2-N-(4-propylcyclohexyl)pyridine-2,3-diamine
SMILESCCCC1CCC(Nc2ncc(Br)cc2N)CC1
InChIInChI=1S/C14H22BrN3/c1-2-3-10-4-6-12(7-5-10)18-14-13(16)8-11(15)9-17-14/h8-10,12H,2-7,16H2,1H3,(H,17,18)
InChIKeySDNZJKXHJMDULH-UHFFFAOYSA-N
XLogP4.20
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.25
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-2-N-(3-methylcyclopentyl)pyridine-2,3-diamine
CID 114543210
3-bromo-4-methyl-2-N-(4-propylcyclohexyl)pyridine-2,5-diamine
CID 104506588
5-bromo-N-(4-propylcyclohexyl)pyrimidin-2-amine
CID 63874176
5-bromo-2-N-(1,1-dioxothian-4-yl)pyridine-2,3-diamine
CID 61227510
2-N-(4-propylcyclohexyl)pyrimidine-2,5-diamine
CID 54962936
6-chloro-4-N-(4-propylcyclohexyl)pyrimidine-4,5-diamine
CID 55143310
5-ethyl-4-N-(4-propylcyclohexyl)pyrimidine-4,6-diamine
CID 80807733
5-methyl-2-N-(4-methylcyclohexyl)pyridine-2,3-diamine
CID 66279507
5-bromo-2-N-(1-cyclohexylpropyl)pyridine-2,3-diamine
CID 63406303
4-bromo-2,6-dichloro-N-(4-propylcyclohexyl)aniline
CID 63425626
5-bromo-2-N-(2-methylbutan-2-yl)pyridine-2,3-diamine
CID 61229242
5-bromo-2-(cyclopropylamino)pyridine-3-carbonitrile
CID 76848506

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-N-(4-propylcyclohexyl)pyridine-2,3-diamine?
The IUPAC name of 5-bromo-2-N-(4-propylcyclohexyl)pyridine-2,3-diamine (CID 55185791) is 5-bromo-2-N-(4-propylcyclohexyl)pyridine-2,3-diamine.
What is the SMILES notation for 5-bromo-2-N-(4-propylcyclohexyl)pyridine-2,3-diamine?
The canonical SMILES for 5-bromo-2-N-(4-propylcyclohexyl)pyridine-2,3-diamine is CCCC1CCC(Nc2ncc(Br)cc2N)CC1.
What is the InChIKey of 5-bromo-2-N-(4-propylcyclohexyl)pyridine-2,3-diamine?
The InChIKey is SDNZJKXHJMDULH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22BrN3/c1-2-3-10-4-6-12(7-5-10)18-14-13(16)8-11(15)9-17-14/h8-10,12H,2-7,16H2,1H3,(H,17,18).
What are the key properties of 5-bromo-2-N-(4-propylcyclohexyl)pyridine-2,3-diamine?
5-bromo-2-N-(4-propylcyclohexyl)pyridine-2,3-diamine has a molecular weight of 312.25 g/mol, XLogP of 4.20, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-N-(4-propylcyclohexyl)pyridine-2,3-diamine is sourced from PubChem (CID 55185791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).