N-[2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-1-cyclohexylethyl]propan-1-amine

C19H36N2 — CID 104746918

IUPACN-[2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-1-cyclohexylethyl]propan-1-amine
SMILESCCCNC(CN1CCC2CCCCC21)C1CCCCC1
InChIInChI=1S/C19H36N2/c1-2-13-20-18(16-8-4-3-5-9-16)15-21-14-12-17-10-6-7-11-19(17)21/h16-20H,2-15H2,1H3
InChIKeyRJYMNEWPYCHVEV-UHFFFAOYSA-N
MW292.51 g/mol
LogP4.20
Rot. Bonds6

About N-[2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-1-cyclohexylethyl]propan-1-amine

N-[2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-1-cyclohexylethyl]propan-1-amine (PubChem CID 104746918) has the molecular formula C19H36N2 and a molecular weight of 292.51 g/mol. Its IUPAC name is N-[2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-1-cyclohexylethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-1-cyclohexylethyl]propan-1-amine
PubChem CID104746918
Molecular FormulaC19H36N2
Molecular Weight292.51 g/mol
Exact Mass292.29
IUPAC NameN-[2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-1-cyclohexylethyl]propan-1-amine
SMILESCCCNC(CN1CCC2CCCCC21)C1CCCCC1
InChIInChI=1S/C19H36N2/c1-2-13-20-18(16-8-4-3-5-9-16)15-21-14-12-17-10-6-7-11-19(17)21/h16-20H,2-15H2,1H3
InChIKeyRJYMNEWPYCHVEV-UHFFFAOYSA-N
XLogP4.20
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.51
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-1-cyclohexylethyl]propan-1-amine with MolForge

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Related Compounds

N-[1-cyclopentyl-2-(2-cyclopentylpyrrolidin-1-yl)ethyl]propan-1-amine
CID 104745688
2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-1-cyclopropyl-N-ethylethanamine
CID 63912128
N-[1-cyclohexyl-2-(2-ethylpyrrolidin-1-yl)ethyl]propan-1-amine
CID 104745004
N-[1-cyclohexyl-2-(3-methylmorpholin-4-yl)ethyl]propan-1-amine
CID 104744783
N-(1-cyclohexyl-2-cyclopropylethyl)propan-1-amine
CID 64906584
1-[2-cyclohexyl-2-(propylamino)ethyl]pyrrolidine-2,5-dione
CID 104747098
1-cyclododecyl-N-propylpropan-1-amine
CID 79308094
1-cyclooctyl-3-methyl-N-propylbutan-1-amine
CID 80611346
1-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-N-methylbutan-2-amine
CID 82747657
1-[2-cyclopentyl-2-(propylamino)ethyl]azepane-2,7-dione
CID 104747332
1-[2-cyclohexyl-2-(propylamino)ethyl]-3-ethylimidazol-2-one
CID 104748010
1-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)propan-2-ol
CID 82749699

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-1-cyclohexylethyl]propan-1-amine?
The IUPAC name of N-[2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-1-cyclohexylethyl]propan-1-amine (CID 104746918) is N-[2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-1-cyclohexylethyl]propan-1-amine.
What is the SMILES notation for N-[2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-1-cyclohexylethyl]propan-1-amine?
The canonical SMILES for N-[2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-1-cyclohexylethyl]propan-1-amine is CCCNC(CN1CCC2CCCCC21)C1CCCCC1.
What is the InChIKey of N-[2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-1-cyclohexylethyl]propan-1-amine?
The InChIKey is RJYMNEWPYCHVEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H36N2/c1-2-13-20-18(16-8-4-3-5-9-16)15-21-14-12-17-10-6-7-11-19(17)21/h16-20H,2-15H2,1H3.
What are the key properties of N-[2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-1-cyclohexylethyl]propan-1-amine?
N-[2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-1-cyclohexylethyl]propan-1-amine has a molecular weight of 292.51 g/mol, XLogP of 4.20, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-1-cyclohexylethyl]propan-1-amine is sourced from PubChem (CID 104746918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).