3-bromo-2-N-(3,5-dimethylcyclohexyl)-4-methylpyridine-2,5-diamine

C14H22BrN3 — CID 104506924

IUPAC3-bromo-2-N-(3,5-dimethylcyclohexyl)-4-methylpyridine-2,5-diamine
SMILESCc1c(N)cnc(NC2CC(C)CC(C)C2)c1Br
InChIInChI=1S/C14H22BrN3/c1-8-4-9(2)6-11(5-8)18-14-13(15)10(3)12(16)7-17-14/h7-9,11H,4-6,16H2,1-3H3,(H,17,18)
InChIKeyHDRTTZVUGXTQAX-UHFFFAOYSA-N
MW312.26 g/mol
LogP3.97
Rot. Bonds2

About 3-bromo-2-N-(3,5-dimethylcyclohexyl)-4-methylpyridine-2,5-diamine

3-bromo-2-N-(3,5-dimethylcyclohexyl)-4-methylpyridine-2,5-diamine (PubChem CID 104506924) has the molecular formula C14H22BrN3 and a molecular weight of 312.26 g/mol. Its IUPAC name is 3-bromo-2-N-(3,5-dimethylcyclohexyl)-4-methylpyridine-2,5-diamine.

Molecular Properties

Compound Name3-bromo-2-N-(3,5-dimethylcyclohexyl)-4-methylpyridine-2,5-diamine
PubChem CID104506924
Molecular FormulaC14H22BrN3
Molecular Weight312.26 g/mol
Exact Mass311.10
IUPAC Name3-bromo-2-N-(3,5-dimethylcyclohexyl)-4-methylpyridine-2,5-diamine
SMILESCc1c(N)cnc(NC2CC(C)CC(C)C2)c1Br
InChIInChI=1S/C14H22BrN3/c1-8-4-9(2)6-11(5-8)18-14-13(15)10(3)12(16)7-17-14/h7-9,11H,4-6,16H2,1-3H3,(H,17,18)
InChIKeyHDRTTZVUGXTQAX-UHFFFAOYSA-N
XLogP3.97
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.26
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-N-(3,5-dimethylcyclohexyl)-4-methylpyridine-2,5-diamine?
The IUPAC name of 3-bromo-2-N-(3,5-dimethylcyclohexyl)-4-methylpyridine-2,5-diamine (CID 104506924) is 3-bromo-2-N-(3,5-dimethylcyclohexyl)-4-methylpyridine-2,5-diamine.
What is the SMILES notation for 3-bromo-2-N-(3,5-dimethylcyclohexyl)-4-methylpyridine-2,5-diamine?
The canonical SMILES for 3-bromo-2-N-(3,5-dimethylcyclohexyl)-4-methylpyridine-2,5-diamine is Cc1c(N)cnc(NC2CC(C)CC(C)C2)c1Br.
What is the InChIKey of 3-bromo-2-N-(3,5-dimethylcyclohexyl)-4-methylpyridine-2,5-diamine?
The InChIKey is HDRTTZVUGXTQAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22BrN3/c1-8-4-9(2)6-11(5-8)18-14-13(15)10(3)12(16)7-17-14/h7-9,11H,4-6,16H2,1-3H3,(H,17,18).
What are the key properties of 3-bromo-2-N-(3,5-dimethylcyclohexyl)-4-methylpyridine-2,5-diamine?
3-bromo-2-N-(3,5-dimethylcyclohexyl)-4-methylpyridine-2,5-diamine has a molecular weight of 312.26 g/mol, XLogP of 3.97, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2-N-(3,5-dimethylcyclohexyl)-4-methylpyridine-2,5-diamine is sourced from PubChem (CID 104506924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).