[1-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-4-ethylcyclohexyl]methanamine

C17H32N2 — CID 82746499

IUPAC[1-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-4-ethylcyclohexyl]methanamine
SMILESCCC1CCC(CN)(N2CCC3CCCCC32)CC1
InChIInChI=1S/C17H32N2/c1-2-14-7-10-17(13-18,11-8-14)19-12-9-15-5-3-4-6-16(15)19/h14-16H,2-13,18H2,1H3
InChIKeyGOMRXMDDIGLWHS-UHFFFAOYSA-N
MW264.46 g/mol
LogP3.55
Rot. Bonds3

About [1-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-4-ethylcyclohexyl]methanamine

[1-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-4-ethylcyclohexyl]methanamine (PubChem CID 82746499) has the molecular formula C17H32N2 and a molecular weight of 264.46 g/mol. Its IUPAC name is [1-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-4-ethylcyclohexyl]methanamine.

Molecular Properties

Compound Name[1-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-4-ethylcyclohexyl]methanamine
PubChem CID82746499
Molecular FormulaC17H32N2
Molecular Weight264.46 g/mol
Exact Mass264.26
IUPAC Name[1-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-4-ethylcyclohexyl]methanamine
SMILESCCC1CCC(CN)(N2CCC3CCCCC32)CC1
InChIInChI=1S/C17H32N2/c1-2-14-7-10-17(13-18,11-8-14)19-12-9-15-5-3-4-6-16(15)19/h14-16H,2-13,18H2,1H3
InChIKeyGOMRXMDDIGLWHS-UHFFFAOYSA-N
XLogP3.55
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.46
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[4-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-1-ethylpiperidin-4-yl]methanamine
CID 102725752
[1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)cyclohexyl]methanamine
CID 43409671
[4-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-1-methylpiperidin-4-yl]methanamine
CID 43628102
[1-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)cyclobutyl]methanamine
CID 79521878
[1-(2-cyclopentylpyrrolidin-1-yl)-4,4-dimethylcycloheptyl]methanamine
CID 65088575
[4-ethyl-1-(2-ethylpiperidin-1-yl)cycloheptyl]methanamine
CID 65088511
[3-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-1,1-dioxothiolan-3-yl]methanamine
CID 82746287
[2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-1,3-dihydroinden-2-yl]methanamine
CID 82752059
[1-(2,4-dimethylpiperidin-1-yl)-4-ethylcycloheptyl]methanamine
CID 65088627
[4-ethyl-1-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)cyclohexyl]methanamine
CID 79941138
[3-(2-cyclopentylpyrrolidin-1-yl)-1-cyclopropylpyrrolidin-3-yl]methanamine
CID 62977325
[1-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-3-(2-methylpropyl)cyclohexyl]methanamine
CID 107429063

Frequently Asked Questions

What is the IUPAC name of [1-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-4-ethylcyclohexyl]methanamine?
The IUPAC name of [1-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-4-ethylcyclohexyl]methanamine (CID 82746499) is [1-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-4-ethylcyclohexyl]methanamine.
What is the SMILES notation for [1-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-4-ethylcyclohexyl]methanamine?
The canonical SMILES for [1-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-4-ethylcyclohexyl]methanamine is CCC1CCC(CN)(N2CCC3CCCCC32)CC1.
What is the InChIKey of [1-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-4-ethylcyclohexyl]methanamine?
The InChIKey is GOMRXMDDIGLWHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2/c1-2-14-7-10-17(13-18,11-8-14)19-12-9-15-5-3-4-6-16(15)19/h14-16H,2-13,18H2,1H3.
What are the key properties of [1-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-4-ethylcyclohexyl]methanamine?
[1-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-4-ethylcyclohexyl]methanamine has a molecular weight of 264.46 g/mol, XLogP of 3.55, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-4-ethylcyclohexyl]methanamine is sourced from PubChem (CID 82746499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).