(4S,6R)-6-ethyl-4,5-di(propan-2-yl)-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridine

C15H26N2 — CID 125062466

IUPAC(4S,6R)-6-ethyl-4,5-di(propan-2-yl)-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridine
SMILESCC[C@@H]1Cc2[nH]ccc2[C@H](C(C)C)N1C(C)C
InChIInChI=1S/C15H26N2/c1-6-12-9-14-13(7-8-16-14)15(10(2)3)17(12)11(4)5/h7-8,10-12,15-16H,6,9H2,1-5H3/t12-,15+/m1/s1
InChIKeyWYGCFSQGBPJGMU-DOMZBBRYSA-N
MW234.39 g/mol
LogP3.76
Rot. Bonds3

About (4S,6R)-6-ethyl-4,5-di(propan-2-yl)-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridine

(4S,6R)-6-ethyl-4,5-di(propan-2-yl)-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridine (PubChem CID 125062466) has the molecular formula C15H26N2 and a molecular weight of 234.39 g/mol. Its IUPAC name is (4S,6R)-6-ethyl-4,5-di(propan-2-yl)-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridine.

Molecular Properties

Compound Name(4S,6R)-6-ethyl-4,5-di(propan-2-yl)-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridine
PubChem CID125062466
Molecular FormulaC15H26N2
Molecular Weight234.39 g/mol
Exact Mass234.21
IUPAC Name(4S,6R)-6-ethyl-4,5-di(propan-2-yl)-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridine
SMILESCC[C@@H]1Cc2[nH]ccc2[C@H](C(C)C)N1C(C)C
InChIInChI=1S/C15H26N2/c1-6-12-9-14-13(7-8-16-14)15(10(2)3)17(12)11(4)5/h7-8,10-12,15-16H,6,9H2,1-5H3/t12-,15+/m1/s1
InChIKeyWYGCFSQGBPJGMU-DOMZBBRYSA-N
XLogP3.76
TPSA19.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.39
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (4S,6R)-6-ethyl-4,5-di(propan-2-yl)-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridine 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

(4S,6S)-5,6-dimethyl-4-propan-2-yl-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridine
CID 125062447
(4R,6R)-4,6-diethyl-5-propyl-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridine
CID 125062341
(4S,6R)-5-ethyl-4,6-dimethyl-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridine
CID 125062456
N-propan-2-yl-4,5,6,7-tetrahydro-1H-indol-4-amine
CID 130918644
6-ethyl-6,7-dihydro-1H-pyrrolo[3,2-c]pyridine
CID 133168563
5-propan-2-yl-4,6-dihydro-1H-pyrrolo[3,4-b]pyrrole
CID 130260798
(6S)-6-ethyl-4-methyl-6,7-dihydro-1H-pyrrolo[3,2-c]pyridine
CID 136859994
(2S)-2-methyl-N-[(4R)-4,5,6,7-tetrahydro-1H-indol-4-yl]hexanamide
CID 124874045
(3S,5R)-5-ethyl-1-(1,5,7,10-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-12-yl)pyrrolidin-3-amine
CID 58557188
(2R)-2-ethyl-1-propan-2-ylaziridine
CID 59459524
3-(1-propan-2-ylpiperidin-4-yl)-1H-pyridin-2-one
CID 176693124
3-ethyl-5-methyl-4-propan-2-ylmorpholine
CID 130177249

Frequently Asked Questions

What is the IUPAC name of (4S,6R)-6-ethyl-4,5-di(propan-2-yl)-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridine?
The IUPAC name of (4S,6R)-6-ethyl-4,5-di(propan-2-yl)-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridine (CID 125062466) is (4S,6R)-6-ethyl-4,5-di(propan-2-yl)-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridine.
What is the SMILES notation for (4S,6R)-6-ethyl-4,5-di(propan-2-yl)-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridine?
The canonical SMILES for (4S,6R)-6-ethyl-4,5-di(propan-2-yl)-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridine is CC[C@@H]1Cc2[nH]ccc2[C@H](C(C)C)N1C(C)C.
What is the InChIKey of (4S,6R)-6-ethyl-4,5-di(propan-2-yl)-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridine?
The InChIKey is WYGCFSQGBPJGMU-DOMZBBRYSA-N. The full InChI is InChI=1S/C15H26N2/c1-6-12-9-14-13(7-8-16-14)15(10(2)3)17(12)11(4)5/h7-8,10-12,15-16H,6,9H2,1-5H3/t12-,15+/m1/s1.
What are the key properties of (4S,6R)-6-ethyl-4,5-di(propan-2-yl)-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridine?
(4S,6R)-6-ethyl-4,5-di(propan-2-yl)-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridine has a molecular weight of 234.39 g/mol, XLogP of 3.76, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,6R)-6-ethyl-4,5-di(propan-2-yl)-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridine is sourced from PubChem (CID 125062466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).