2,3,3a,4,5,6,7,7a-octahydroindol-1-yl-[2-(aminomethyl)cyclohexyl]methanone

C16H28N2O — CID 82746420

IUPAC2,3,3a,4,5,6,7,7a-octahydroindol-1-yl-[2-(aminomethyl)cyclohexyl]methanone
SMILESNCC1CCCCC1C(=O)N1CCC2CCCCC21
InChIInChI=1S/C16H28N2O/c17-11-13-6-1-3-7-14(13)16(19)18-10-9-12-5-2-4-8-15(12)18/h12-15H,1-11,17H2
InChIKeyGVUYJVUWURPXSF-UHFFFAOYSA-N
MW264.41 g/mol
LogP2.54
Rot. Bonds2

About 2,3,3a,4,5,6,7,7a-octahydroindol-1-yl-[2-(aminomethyl)cyclohexyl]methanone

2,3,3a,4,5,6,7,7a-octahydroindol-1-yl-[2-(aminomethyl)cyclohexyl]methanone (PubChem CID 82746420) has the molecular formula C16H28N2O and a molecular weight of 264.41 g/mol. Its IUPAC name is 2,3,3a,4,5,6,7,7a-octahydroindol-1-yl-[2-(aminomethyl)cyclohexyl]methanone.

Molecular Properties

Compound Name2,3,3a,4,5,6,7,7a-octahydroindol-1-yl-[2-(aminomethyl)cyclohexyl]methanone
PubChem CID82746420
Molecular FormulaC16H28N2O
Molecular Weight264.41 g/mol
Exact Mass264.22
IUPAC Name2,3,3a,4,5,6,7,7a-octahydroindol-1-yl-[2-(aminomethyl)cyclohexyl]methanone
SMILESNCC1CCCCC1C(=O)N1CCC2CCCCC21
InChIInChI=1S/C16H28N2O/c17-11-13-6-1-3-7-14(13)16(19)18-10-9-12-5-2-4-8-15(12)18/h12-15H,1-11,17H2
InChIKeyGVUYJVUWURPXSF-UHFFFAOYSA-N
XLogP2.54
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.41
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2,3,3a,4,5,6,7,7a-octahydroindol-1-yl-[2-(aminomethyl)cyclohexyl]methanone 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

1-[2-(aminomethyl)cyclohexanecarbonyl]-2-methylpyrrolidine-3-carboxylic acid
CID 79372312
[4-(2,3,3a,4,5,6,7,7a-octahydroindole-1-carbonyl)cyclohexyl]-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)methanone
CID 171722445
[(1R,2S)-2-(aminomethyl)cyclopentyl]-pyrrolidin-1-ylmethanone
CID 131010813
2-(2,3,3a,4,5,6,7,7a-octahydroindole-1-carbonyl)-4-methylcyclopentane-1-carboxylic acid
CID 114391262
1-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-2-(ethylamino)-2-methylpropan-1-one
CID 82747461
1-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-4-aminobutan-1-one
CID 81433954
2,3,3a,4,5,6,7,7a-octahydroindol-1-yl-(2-methylpyrrolidin-3-yl)methanone
CID 82746210
2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-2-methylpropan-1-amine
CID 82747633
[2-(aminomethyl)cyclohexyl]-(3-hydroxyazetidin-1-yl)methanone
CID 107217496
1-[2-(aminomethyl)cyclopentanecarbonyl]-4-methylpiperidine-2-carboxylic acid
CID 114424736
2,3,3a,4,5,6,7,7a-octahydroindol-1-yl-(3-aminocyclopentyl)methanone
CID 81488864
1-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-2-(1-aminocyclopentyl)ethanone
CID 82746412

Frequently Asked Questions

What is the IUPAC name of 2,3,3a,4,5,6,7,7a-octahydroindol-1-yl-[2-(aminomethyl)cyclohexyl]methanone?
The IUPAC name of 2,3,3a,4,5,6,7,7a-octahydroindol-1-yl-[2-(aminomethyl)cyclohexyl]methanone (CID 82746420) is 2,3,3a,4,5,6,7,7a-octahydroindol-1-yl-[2-(aminomethyl)cyclohexyl]methanone.
What is the SMILES notation for 2,3,3a,4,5,6,7,7a-octahydroindol-1-yl-[2-(aminomethyl)cyclohexyl]methanone?
The canonical SMILES for 2,3,3a,4,5,6,7,7a-octahydroindol-1-yl-[2-(aminomethyl)cyclohexyl]methanone is NCC1CCCCC1C(=O)N1CCC2CCCCC21.
What is the InChIKey of 2,3,3a,4,5,6,7,7a-octahydroindol-1-yl-[2-(aminomethyl)cyclohexyl]methanone?
The InChIKey is GVUYJVUWURPXSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O/c17-11-13-6-1-3-7-14(13)16(19)18-10-9-12-5-2-4-8-15(12)18/h12-15H,1-11,17H2.
What are the key properties of 2,3,3a,4,5,6,7,7a-octahydroindol-1-yl-[2-(aminomethyl)cyclohexyl]methanone?
2,3,3a,4,5,6,7,7a-octahydroindol-1-yl-[2-(aminomethyl)cyclohexyl]methanone has a molecular weight of 264.41 g/mol, XLogP of 2.54, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,3a,4,5,6,7,7a-octahydroindol-1-yl-[2-(aminomethyl)cyclohexyl]methanone is sourced from PubChem (CID 82746420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).