3-[(3-methyl-1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)methyl]-2,3,5,6,7,8,9,9a-octahydro-1H-pyrrolo[1,2-a]azepine

C19H34N2 — CID 146666510

IUPAC3-[(3-methyl-1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)methyl]-2,3,5,6,7,8,9,9a-octahydro-1H-pyrrolo[1,2-a]azepine
SMILESCC1CCC2CC(CC3CCC4CCCCCN43)CCN12
InChIInChI=1S/C19H34N2/c1-15-6-7-18-13-16(10-12-20(15)18)14-19-9-8-17-5-3-2-4-11-21(17)19/h15-19H,2-14H2,1H3
InChIKeyRPOZXBCYPBMFRK-UHFFFAOYSA-N
MW290.50 g/mol
LogP4.05
Rot. Bonds2

About 3-[(3-methyl-1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)methyl]-2,3,5,6,7,8,9,9a-octahydro-1H-pyrrolo[1,2-a]azepine

3-[(3-methyl-1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)methyl]-2,3,5,6,7,8,9,9a-octahydro-1H-pyrrolo[1,2-a]azepine (PubChem CID 146666510) has the molecular formula C19H34N2 and a molecular weight of 290.50 g/mol. Its IUPAC name is 3-[(3-methyl-1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)methyl]-2,3,5,6,7,8,9,9a-octahydro-1H-pyrrolo[1,2-a]azepine.

Molecular Properties

Compound Name3-[(3-methyl-1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)methyl]-2,3,5,6,7,8,9,9a-octahydro-1H-pyrrolo[1,2-a]azepine
PubChem CID146666510
Molecular FormulaC19H34N2
Molecular Weight290.50 g/mol
Exact Mass290.27
IUPAC Name3-[(3-methyl-1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)methyl]-2,3,5,6,7,8,9,9a-octahydro-1H-pyrrolo[1,2-a]azepine
SMILESCC1CCC2CC(CC3CCC4CCCCCN43)CCN12
InChIInChI=1S/C19H34N2/c1-15-6-7-18-13-16(10-12-20(15)18)14-19-9-8-17-5-3-2-4-11-21(17)19/h15-19H,2-14H2,1H3
InChIKeyRPOZXBCYPBMFRK-UHFFFAOYSA-N
XLogP4.05
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.50
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3-[(3-methyl-1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)methyl]-2,3,5,6,7,8,9,9a-octahydro-1H-pyrrolo[1,2-a]azepine 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

(3R,8aS)-3-methyl-1,2,3,5,6,7,8,8a-octahydroindolizine
CID 14734985
(5R,9aR)-5-methyl-2,3,5,6,7,8,9,9a-octahydro-1H-pyrrolo[1,2-a]azepine
CID 15656831
4-(2-methylpiperidin-1-yl)cyclohexan-1-amine
CID 62807430
3-butyl-1,2,3,5,6,7,8,8a-octahydroindolizine
CID 579931
(1-cycloheptyl-4-ethylpiperidin-2-yl)methanamine
CID 103351990
2-(chloromethyl)-1-cycloheptylazepane
CID 116638619
3-pentyl-1,2,3,5,6,7,8,8a-octahydroindolizine
CID 67906511
ethane;5-methyl-1,2,3,5,6,7,8,8a-octahydroindolizine
CID 167500332
(1-cycloheptylazepan-2-yl)methanamine
CID 116640538
1-cyclopentyl-2-ethyl-4-methylpiperidine
CID 59900610
2-[1-(3-ethylcyclopentyl)piperidin-2-yl]ethanamine
CID 64513358
(2S)-1-cyclopentyl-2-propylpiperidine
CID 170635716

Frequently Asked Questions

What is the IUPAC name of 3-[(3-methyl-1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)methyl]-2,3,5,6,7,8,9,9a-octahydro-1H-pyrrolo[1,2-a]azepine?
The IUPAC name of 3-[(3-methyl-1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)methyl]-2,3,5,6,7,8,9,9a-octahydro-1H-pyrrolo[1,2-a]azepine (CID 146666510) is 3-[(3-methyl-1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)methyl]-2,3,5,6,7,8,9,9a-octahydro-1H-pyrrolo[1,2-a]azepine.
What is the SMILES notation for 3-[(3-methyl-1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)methyl]-2,3,5,6,7,8,9,9a-octahydro-1H-pyrrolo[1,2-a]azepine?
The canonical SMILES for 3-[(3-methyl-1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)methyl]-2,3,5,6,7,8,9,9a-octahydro-1H-pyrrolo[1,2-a]azepine is CC1CCC2CC(CC3CCC4CCCCCN43)CCN12.
What is the InChIKey of 3-[(3-methyl-1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)methyl]-2,3,5,6,7,8,9,9a-octahydro-1H-pyrrolo[1,2-a]azepine?
The InChIKey is RPOZXBCYPBMFRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34N2/c1-15-6-7-18-13-16(10-12-20(15)18)14-19-9-8-17-5-3-2-4-11-21(17)19/h15-19H,2-14H2,1H3.
What are the key properties of 3-[(3-methyl-1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)methyl]-2,3,5,6,7,8,9,9a-octahydro-1H-pyrrolo[1,2-a]azepine?
3-[(3-methyl-1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)methyl]-2,3,5,6,7,8,9,9a-octahydro-1H-pyrrolo[1,2-a]azepine has a molecular weight of 290.50 g/mol, XLogP of 4.05, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-methyl-1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)methyl]-2,3,5,6,7,8,9,9a-octahydro-1H-pyrrolo[1,2-a]azepine is sourced from PubChem (CID 146666510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).