(5S)-2',4'-dimethylspiro[5,7-dihydrocyclopenta[b]pyridine-6,1'-cyclobutane]-5-amine

C13H18N2 — CID 167048296

IUPAC(5S)-2',4'-dimethylspiro[5,7-dihydrocyclopenta[b]pyridine-6,1'-cyclobutane]-5-amine
SMILESCC1CC(C)C12Cc1ncccc1[C@H]2N
InChIInChI=1S/C13H18N2/c1-8-6-9(2)13(8)7-11-10(12(13)14)4-3-5-15-11/h3-5,8-9,12H,6-7,14H2,1-2H3/t8?,9?,12-,13?/m1/s1
InChIKeyRBYYAFOHSKADHX-HPJYBOFKSA-N
MW202.30 g/mol
LogP2.30
Rot. Bonds

About (5S)-2',4'-dimethylspiro[5,7-dihydrocyclopenta[b]pyridine-6,1'-cyclobutane]-5-amine

(5S)-2',4'-dimethylspiro[5,7-dihydrocyclopenta[b]pyridine-6,1'-cyclobutane]-5-amine (PubChem CID 167048296) has the molecular formula C13H18N2 and a molecular weight of 202.30 g/mol. Its IUPAC name is (5S)-2',4'-dimethylspiro[5,7-dihydrocyclopenta[b]pyridine-6,1'-cyclobutane]-5-amine.

Molecular Properties

Compound Name(5S)-2',4'-dimethylspiro[5,7-dihydrocyclopenta[b]pyridine-6,1'-cyclobutane]-5-amine
PubChem CID167048296
Molecular FormulaC13H18N2
Molecular Weight202.30 g/mol
Exact Mass202.15
IUPAC Name(5S)-2',4'-dimethylspiro[5,7-dihydrocyclopenta[b]pyridine-6,1'-cyclobutane]-5-amine
SMILESCC1CC(C)C12Cc1ncccc1[C@H]2N
InChIInChI=1S/C13H18N2/c1-8-6-9(2)13(8)7-11-10(12(13)14)4-3-5-15-11/h3-5,8-9,12H,6-7,14H2,1-2H3/t8?,9?,12-,13?/m1/s1
InChIKeyRBYYAFOHSKADHX-HPJYBOFKSA-N
XLogP2.30
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(5S)-spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine;trihydrochloride
CID 153482804
spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine;dihydrochloride
CID 155165273
(5S)-1'-propan-2-ylspiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine
CID 155623818
(5R)-5,6-dimethyl-6,7-dihydro-5H-cyclopenta[b]pyridine
CID 58714676
(5aR,7R,8aR)-7-methyl-5,5a,6,7,8,8a-hexahydropentaleno[2,1-b]pyridine
CID 154715452
5-methyl-5,7-dihydrocyclopenta[b]pyridin-6-one
CID 134558287
(5S)-1'-(4-bromophenyl)spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine
CID 146538401
5,7-dimethyl-5,6,7,8-tetrahydro-1,6-naphthyridine
CID 83970782
5-methyl-6,7-dihydro-5H-pyrrolo[3,4-b]pyridine
CID 147578197
3-[(5S)-5-aminospiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-1'-yl]-6-propan-2-yl-1H-pyrazin-2-one
CID 139525640
6,6-dimethyl-5,7-dihydrocyclopenta[b]pyridin-7-amine
CID 112714214
(2S,4R)-3-oxa-7-azatricyclo[4.4.0.02,4]deca-1(6),7,9-triene
CID 11434972

Frequently Asked Questions

What is the IUPAC name of (5S)-2',4'-dimethylspiro[5,7-dihydrocyclopenta[b]pyridine-6,1'-cyclobutane]-5-amine?
The IUPAC name of (5S)-2',4'-dimethylspiro[5,7-dihydrocyclopenta[b]pyridine-6,1'-cyclobutane]-5-amine (CID 167048296) is (5S)-2',4'-dimethylspiro[5,7-dihydrocyclopenta[b]pyridine-6,1'-cyclobutane]-5-amine.
What is the SMILES notation for (5S)-2',4'-dimethylspiro[5,7-dihydrocyclopenta[b]pyridine-6,1'-cyclobutane]-5-amine?
The canonical SMILES for (5S)-2',4'-dimethylspiro[5,7-dihydrocyclopenta[b]pyridine-6,1'-cyclobutane]-5-amine is CC1CC(C)C12Cc1ncccc1[C@H]2N.
What is the InChIKey of (5S)-2',4'-dimethylspiro[5,7-dihydrocyclopenta[b]pyridine-6,1'-cyclobutane]-5-amine?
The InChIKey is RBYYAFOHSKADHX-HPJYBOFKSA-N. The full InChI is InChI=1S/C13H18N2/c1-8-6-9(2)13(8)7-11-10(12(13)14)4-3-5-15-11/h3-5,8-9,12H,6-7,14H2,1-2H3/t8?,9?,12-,13?/m1/s1.
What are the key properties of (5S)-2',4'-dimethylspiro[5,7-dihydrocyclopenta[b]pyridine-6,1'-cyclobutane]-5-amine?
(5S)-2',4'-dimethylspiro[5,7-dihydrocyclopenta[b]pyridine-6,1'-cyclobutane]-5-amine has a molecular weight of 202.30 g/mol, XLogP of 2.30, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-2',4'-dimethylspiro[5,7-dihydrocyclopenta[b]pyridine-6,1'-cyclobutane]-5-amine is sourced from PubChem (CID 167048296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).