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

C14H21N3 — CID 146553855

IUPAC(5S)-1',2-dimethylspiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine
SMILESCc1ccc2c(n1)CC1(CCN(C)CC1)[C@@H]2N
InChIInChI=1S/C14H21N3/c1-10-3-4-11-12(16-10)9-14(13(11)15)5-7-17(2)8-6-14/h3-4,13H,5-9,15H2,1-2H3/t13-/m1/s1
InChIKeyQGXNJSAHZHZHBY-CYBMUJFWSA-N
MW231.34 g/mol
LogP1.66
Rot. Bonds

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

(5S)-1',2-dimethylspiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine (PubChem CID 146553855) has the molecular formula C14H21N3 and a molecular weight of 231.34 g/mol. Its IUPAC name is (5S)-1',2-dimethylspiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine.

Molecular Properties

Compound Name(5S)-1',2-dimethylspiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine
PubChem CID146553855
Molecular FormulaC14H21N3
Molecular Weight231.34 g/mol
Exact Mass231.17
IUPAC Name(5S)-1',2-dimethylspiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine
SMILESCc1ccc2c(n1)CC1(CCN(C)CC1)[C@@H]2N
InChIInChI=1S/C14H21N3/c1-10-3-4-11-12(16-10)9-14(13(11)15)5-7-17(2)8-6-14/h3-4,13H,5-9,15H2,1-2H3/t13-/m1/s1
InChIKeyQGXNJSAHZHZHBY-CYBMUJFWSA-N
XLogP1.66
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (5S)-1',2-dimethylspiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (5S)-1',2-dimethylspiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine?
The IUPAC name of (5S)-1',2-dimethylspiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine (CID 146553855) is (5S)-1',2-dimethylspiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine.
What is the SMILES notation for (5S)-1',2-dimethylspiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine?
The canonical SMILES for (5S)-1',2-dimethylspiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine is Cc1ccc2c(n1)CC1(CCN(C)CC1)[C@@H]2N.
What is the InChIKey of (5S)-1',2-dimethylspiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine?
The InChIKey is QGXNJSAHZHZHBY-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H21N3/c1-10-3-4-11-12(16-10)9-14(13(11)15)5-7-17(2)8-6-14/h3-4,13H,5-9,15H2,1-2H3/t13-/m1/s1.
What are the key properties of (5S)-1',2-dimethylspiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine?
(5S)-1',2-dimethylspiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine has a molecular weight of 231.34 g/mol, XLogP of 1.66, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-1',2-dimethylspiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine is sourced from PubChem (CID 146553855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).