6-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-3-ethylhexan-1-amine

C16H32N2 — CID 82750118

IUPAC6-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-3-ethylhexan-1-amine
SMILESCCC(CCN)CCCN1CCC2CCCCC21
InChIInChI=1S/C16H32N2/c1-2-14(9-11-17)6-5-12-18-13-10-15-7-3-4-8-16(15)18/h14-16H,2-13,17H2,1H3
InChIKeyPLNCQOQFMPDKGK-UHFFFAOYSA-N
MW252.45 g/mol
LogP3.41
Rot. Bonds7

About 6-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-3-ethylhexan-1-amine

6-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-3-ethylhexan-1-amine (PubChem CID 82750118) has the molecular formula C16H32N2 and a molecular weight of 252.45 g/mol. Its IUPAC name is 6-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-3-ethylhexan-1-amine.

Molecular Properties

Compound Name6-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-3-ethylhexan-1-amine
PubChem CID82750118
Molecular FormulaC16H32N2
Molecular Weight252.45 g/mol
Exact Mass252.26
IUPAC Name6-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-3-ethylhexan-1-amine
SMILESCCC(CCN)CCCN1CCC2CCCCC21
InChIInChI=1S/C16H32N2/c1-2-14(9-11-17)6-5-12-18-13-10-15-7-3-4-8-16(15)18/h14-16H,2-13,17H2,1H3
InChIKeyPLNCQOQFMPDKGK-UHFFFAOYSA-N
XLogP3.41
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.45
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 6-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-3-ethylhexan-1-amine 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

6-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-3-methylhexan-1-amine
CID 82750292
6-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-3,3-dimethylhexan-1-amine
CID 82750419
6-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)hexan-3-ol
CID 106802440
7-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)heptan-1-amine
CID 43628297
2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-ylmethyl)butan-1-amine
CID 65228222
3-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)pentan-1-amine
CID 82747112
1-(3-bromopropyl)-2,3,3a,4,5,6,7,7a-octahydroindole
CID 82749789
4-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]butan-2-amine
CID 102725969
1-ethyl-2,3,3a,4,5,6,7,7a-octahydroindole
CID 524515
3-(3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-1-yl)propan-1-ol
CID 130620337
1-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]hexan-3-amine
CID 102726915
(3aR,7aR)-1-(2-methoxyethyl)-2,3,3a,4,5,6,7,7a-octahydroindole
CID 130723594

Frequently Asked Questions

What is the IUPAC name of 6-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-3-ethylhexan-1-amine?
The IUPAC name of 6-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-3-ethylhexan-1-amine (CID 82750118) is 6-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-3-ethylhexan-1-amine.
What is the SMILES notation for 6-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-3-ethylhexan-1-amine?
The canonical SMILES for 6-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-3-ethylhexan-1-amine is CCC(CCN)CCCN1CCC2CCCCC21.
What is the InChIKey of 6-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-3-ethylhexan-1-amine?
The InChIKey is PLNCQOQFMPDKGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2/c1-2-14(9-11-17)6-5-12-18-13-10-15-7-3-4-8-16(15)18/h14-16H,2-13,17H2,1H3.
What are the key properties of 6-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-3-ethylhexan-1-amine?
6-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-3-ethylhexan-1-amine has a molecular weight of 252.45 g/mol, XLogP of 3.41, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-3-ethylhexan-1-amine is sourced from PubChem (CID 82750118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).