5-bromo-4-(3,3,5-trimethylcyclohexyl)oxypyridin-3-amine

C14H21BrN2O — CID 103518728

IUPAC5-bromo-4-(3,3,5-trimethylcyclohexyl)oxypyridin-3-amine
SMILESCC1CC(Oc2c(N)cncc2Br)CC(C)(C)C1
InChIInChI=1S/C14H21BrN2O/c1-9-4-10(6-14(2,3)5-9)18-13-11(15)7-17-8-12(13)16/h7-10H,4-6,16H2,1-3H3
InChIKeyGMVRKBLGUCOZCE-UHFFFAOYSA-N
MW313.24 g/mol
LogP4.02
Rot. Bonds2

About 5-bromo-4-(3,3,5-trimethylcyclohexyl)oxypyridin-3-amine

5-bromo-4-(3,3,5-trimethylcyclohexyl)oxypyridin-3-amine (PubChem CID 103518728) has the molecular formula C14H21BrN2O and a molecular weight of 313.24 g/mol. Its IUPAC name is 5-bromo-4-(3,3,5-trimethylcyclohexyl)oxypyridin-3-amine.

Molecular Properties

Compound Name5-bromo-4-(3,3,5-trimethylcyclohexyl)oxypyridin-3-amine
PubChem CID103518728
Molecular FormulaC14H21BrN2O
Molecular Weight313.24 g/mol
Exact Mass312.08
IUPAC Name5-bromo-4-(3,3,5-trimethylcyclohexyl)oxypyridin-3-amine
SMILESCC1CC(Oc2c(N)cncc2Br)CC(C)(C)C1
InChIInChI=1S/C14H21BrN2O/c1-9-4-10(6-14(2,3)5-9)18-13-11(15)7-17-8-12(13)16/h7-10H,4-6,16H2,1-3H3
InChIKeyGMVRKBLGUCOZCE-UHFFFAOYSA-N
XLogP4.02
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.24
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-(3,3,5-trimethylcyclohexyl)oxypyridin-3-amine?
The IUPAC name of 5-bromo-4-(3,3,5-trimethylcyclohexyl)oxypyridin-3-amine (CID 103518728) is 5-bromo-4-(3,3,5-trimethylcyclohexyl)oxypyridin-3-amine.
What is the SMILES notation for 5-bromo-4-(3,3,5-trimethylcyclohexyl)oxypyridin-3-amine?
The canonical SMILES for 5-bromo-4-(3,3,5-trimethylcyclohexyl)oxypyridin-3-amine is CC1CC(Oc2c(N)cncc2Br)CC(C)(C)C1.
What is the InChIKey of 5-bromo-4-(3,3,5-trimethylcyclohexyl)oxypyridin-3-amine?
The InChIKey is GMVRKBLGUCOZCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrN2O/c1-9-4-10(6-14(2,3)5-9)18-13-11(15)7-17-8-12(13)16/h7-10H,4-6,16H2,1-3H3.
What are the key properties of 5-bromo-4-(3,3,5-trimethylcyclohexyl)oxypyridin-3-amine?
5-bromo-4-(3,3,5-trimethylcyclohexyl)oxypyridin-3-amine has a molecular weight of 313.24 g/mol, XLogP of 4.02, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-(3,3,5-trimethylcyclohexyl)oxypyridin-3-amine is sourced from PubChem (CID 103518728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).