5-bromo-N-(3-ethoxyspiro[3.3]heptan-1-yl)pyridin-2-amine

C14H19BrN2O — CID 133353747

IUPAC5-bromo-N-(3-ethoxyspiro[3.3]heptan-1-yl)pyridin-2-amine
SMILESCCOC1CC(Nc2ccc(Br)cn2)C12CCC2
InChIInChI=1S/C14H19BrN2O/c1-2-18-12-8-11(14(12)6-3-7-14)17-13-5-4-10(15)9-16-13/h4-5,9,11-12H,2-3,6-8H2,1H3,(H,16,17)
InChIKeyYRXKJLMWWJXVQY-UHFFFAOYSA-N
MW311.22 g/mol
LogP3.60
Rot. Bonds4

About 5-bromo-N-(3-ethoxyspiro[3.3]heptan-1-yl)pyridin-2-amine

5-bromo-N-(3-ethoxyspiro[3.3]heptan-1-yl)pyridin-2-amine (PubChem CID 133353747) has the molecular formula C14H19BrN2O and a molecular weight of 311.22 g/mol. Its IUPAC name is 5-bromo-N-(3-ethoxyspiro[3.3]heptan-1-yl)pyridin-2-amine.

Molecular Properties

Compound Name5-bromo-N-(3-ethoxyspiro[3.3]heptan-1-yl)pyridin-2-amine
PubChem CID133353747
Molecular FormulaC14H19BrN2O
Molecular Weight311.22 g/mol
Exact Mass310.07
IUPAC Name5-bromo-N-(3-ethoxyspiro[3.3]heptan-1-yl)pyridin-2-amine
SMILESCCOC1CC(Nc2ccc(Br)cn2)C12CCC2
InChIInChI=1S/C14H19BrN2O/c1-2-18-12-8-11(14(12)6-3-7-14)17-13-5-4-10(15)9-16-13/h4-5,9,11-12H,2-3,6-8H2,1H3,(H,16,17)
InChIKeyYRXKJLMWWJXVQY-UHFFFAOYSA-N
XLogP3.60
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.22
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-bromo-N-(3-ethoxyspiro[3.3]heptan-1-yl)pyridin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-bromophenyl)-3-ethoxyspiro[3.4]octan-1-amine
CID 64863463
N-(5-bromo-2-chlorophenyl)-3-ethoxyspiro[3.5]nonan-1-amine
CID 65169393
N-(4-bromo-2,6-dimethylphenyl)-3-ethoxyspiro[3.3]heptan-1-amine
CID 65294226
N-(2,4-dibromophenyl)-3-ethoxyspiro[3.5]nonan-1-amine
CID 65167719
5-[(3-ethoxyspiro[3.4]octan-1-yl)amino]pyrazine-2-carbonitrile
CID 133484797
5-N-(3-ethoxyspiro[3.3]heptan-1-yl)-2-N,2-N-dimethylpyridine-2,5-diamine
CID 65295488
6-[(3-ethoxyspiro[3.3]heptan-1-yl)amino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
CID 133340384
3-ethoxy-N-(4-ethoxyphenyl)spiro[3.3]heptan-1-amine
CID 65295079
N-(3-ethoxyspiro[3.3]heptan-1-yl)thiadiazol-5-amine
CID 107649614
N-[(1S)-1-(4-bromophenyl)ethyl]-3-ethoxyspiro[3.3]heptan-1-amine
CID 81360005
N-(3-ethoxyspiro[3.3]heptan-1-yl)-5-methylpyridin-3-amine
CID 103932375
N-(2,6-dichlorophenyl)-3-ethoxyspiro[3.4]octan-1-amine
CID 65468186

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(3-ethoxyspiro[3.3]heptan-1-yl)pyridin-2-amine?
The IUPAC name of 5-bromo-N-(3-ethoxyspiro[3.3]heptan-1-yl)pyridin-2-amine (CID 133353747) is 5-bromo-N-(3-ethoxyspiro[3.3]heptan-1-yl)pyridin-2-amine.
What is the SMILES notation for 5-bromo-N-(3-ethoxyspiro[3.3]heptan-1-yl)pyridin-2-amine?
The canonical SMILES for 5-bromo-N-(3-ethoxyspiro[3.3]heptan-1-yl)pyridin-2-amine is CCOC1CC(Nc2ccc(Br)cn2)C12CCC2.
What is the InChIKey of 5-bromo-N-(3-ethoxyspiro[3.3]heptan-1-yl)pyridin-2-amine?
The InChIKey is YRXKJLMWWJXVQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrN2O/c1-2-18-12-8-11(14(12)6-3-7-14)17-13-5-4-10(15)9-16-13/h4-5,9,11-12H,2-3,6-8H2,1H3,(H,16,17).
What are the key properties of 5-bromo-N-(3-ethoxyspiro[3.3]heptan-1-yl)pyridin-2-amine?
5-bromo-N-(3-ethoxyspiro[3.3]heptan-1-yl)pyridin-2-amine has a molecular weight of 311.22 g/mol, XLogP of 3.60, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(3-ethoxyspiro[3.3]heptan-1-yl)pyridin-2-amine is sourced from PubChem (CID 133353747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).