N-(3-ethoxyspiro[3.3]heptan-1-yl)-5-methylpyridin-3-amine

C15H22N2O — CID 103932375

IUPACN-(3-ethoxyspiro[3.3]heptan-1-yl)-5-methylpyridin-3-amine
SMILESCCOC1CC(Nc2cncc(C)c2)C12CCC2
InChIInChI=1S/C15H22N2O/c1-3-18-14-8-13(15(14)5-4-6-15)17-12-7-11(2)9-16-10-12/h7,9-10,13-14,17H,3-6,8H2,1-2H3
InChIKeyRHVVQNUPKWIZBS-UHFFFAOYSA-N
MW246.35 g/mol
LogP3.15
Rot. Bonds4

About N-(3-ethoxyspiro[3.3]heptan-1-yl)-5-methylpyridin-3-amine

N-(3-ethoxyspiro[3.3]heptan-1-yl)-5-methylpyridin-3-amine (PubChem CID 103932375) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is N-(3-ethoxyspiro[3.3]heptan-1-yl)-5-methylpyridin-3-amine.

Molecular Properties

Compound NameN-(3-ethoxyspiro[3.3]heptan-1-yl)-5-methylpyridin-3-amine
PubChem CID103932375
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC NameN-(3-ethoxyspiro[3.3]heptan-1-yl)-5-methylpyridin-3-amine
SMILESCCOC1CC(Nc2cncc(C)c2)C12CCC2
InChIInChI=1S/C15H22N2O/c1-3-18-14-8-13(15(14)5-4-6-15)17-12-7-11(2)9-16-10-12/h7,9-10,13-14,17H,3-6,8H2,1-2H3
InChIKeyRHVVQNUPKWIZBS-UHFFFAOYSA-N
XLogP3.15
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-bromo-3,5-dimethylphenyl)-3-ethoxyspiro[3.4]octan-1-amine
CID 107572197
N-(3-ethoxyspiro[3.5]nonan-1-yl)pyridin-3-amine
CID 65170359
N-(3,5-difluorophenyl)-3-ethoxyspiro[3.3]heptan-1-amine
CID 65295033
3-ethoxy-N-(2,4,6-trimethylphenyl)spiro[3.3]heptan-1-amine
CID 65294859
N-(4-bromo-2,6-dimethylphenyl)-3-ethoxyspiro[3.3]heptan-1-amine
CID 65294226
N-(4-bromophenyl)-3-ethoxyspiro[3.4]octan-1-amine
CID 64863463
2,6-dichloro-4-[(3-ethoxyspiro[3.3]heptan-1-yl)amino]phenol
CID 107679311
N-(2,4-dimethylphenyl)-3-ethoxyspiro[3.3]heptan-1-amine
CID 65295516
5-N-(3-ethoxyspiro[3.3]heptan-1-yl)-2-N,2-N-dimethylpyridine-2,5-diamine
CID 65295488
3-ethoxy-N-(4-ethoxyphenyl)spiro[3.3]heptan-1-amine
CID 65295079
3-ethoxy-N-(4-methoxyphenyl)spiro[3.3]heptan-1-amine
CID 65295180
3-ethoxy-N-[(4-methylphenyl)methyl]spiro[3.3]heptan-1-amine
CID 65295035

Frequently Asked Questions

What is the IUPAC name of N-(3-ethoxyspiro[3.3]heptan-1-yl)-5-methylpyridin-3-amine?
The IUPAC name of N-(3-ethoxyspiro[3.3]heptan-1-yl)-5-methylpyridin-3-amine (CID 103932375) is N-(3-ethoxyspiro[3.3]heptan-1-yl)-5-methylpyridin-3-amine.
What is the SMILES notation for N-(3-ethoxyspiro[3.3]heptan-1-yl)-5-methylpyridin-3-amine?
The canonical SMILES for N-(3-ethoxyspiro[3.3]heptan-1-yl)-5-methylpyridin-3-amine is CCOC1CC(Nc2cncc(C)c2)C12CCC2.
What is the InChIKey of N-(3-ethoxyspiro[3.3]heptan-1-yl)-5-methylpyridin-3-amine?
The InChIKey is RHVVQNUPKWIZBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-3-18-14-8-13(15(14)5-4-6-15)17-12-7-11(2)9-16-10-12/h7,9-10,13-14,17H,3-6,8H2,1-2H3.
What are the key properties of N-(3-ethoxyspiro[3.3]heptan-1-yl)-5-methylpyridin-3-amine?
N-(3-ethoxyspiro[3.3]heptan-1-yl)-5-methylpyridin-3-amine has a molecular weight of 246.35 g/mol, XLogP of 3.15, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethoxyspiro[3.3]heptan-1-yl)-5-methylpyridin-3-amine is sourced from PubChem (CID 103932375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).