N-[[1-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylmethyl)cycloheptyl]methyl]ethanamine

C19H36N2 — CID 82751479

IUPACN-[[1-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylmethyl)cycloheptyl]methyl]ethanamine
SMILESCCNCC1(CN2CCC3CCCCC32)CCCCCC1
InChIInChI=1S/C19H36N2/c1-2-20-15-19(12-7-3-4-8-13-19)16-21-14-11-17-9-5-6-10-18(17)21/h17-18,20H,2-16H2,1H3
InChIKeyNRRGIZPQFKOJGH-UHFFFAOYSA-N
MW292.51 g/mol
LogP4.20
Rot. Bonds5

About N-[[1-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylmethyl)cycloheptyl]methyl]ethanamine

N-[[1-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylmethyl)cycloheptyl]methyl]ethanamine (PubChem CID 82751479) has the molecular formula C19H36N2 and a molecular weight of 292.51 g/mol. Its IUPAC name is N-[[1-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylmethyl)cycloheptyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[1-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylmethyl)cycloheptyl]methyl]ethanamine
PubChem CID82751479
Molecular FormulaC19H36N2
Molecular Weight292.51 g/mol
Exact Mass292.29
IUPAC NameN-[[1-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylmethyl)cycloheptyl]methyl]ethanamine
SMILESCCNCC1(CN2CCC3CCCCC32)CCCCCC1
InChIInChI=1S/C19H36N2/c1-2-20-15-19(12-7-3-4-8-13-19)16-21-14-11-17-9-5-6-10-18(17)21/h17-18,20H,2-16H2,1H3
InChIKeyNRRGIZPQFKOJGH-UHFFFAOYSA-N
XLogP4.20
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
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-[[1-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylmethyl)cycloheptyl]methyl]ethanamine with MolForge

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Related Compounds

1-[1-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylmethyl)cycloheptyl]-N-methylmethanamine
CID 82752685
N-[[4-[(2-cyclopentylpyrrolidin-1-yl)methyl]oxan-4-yl]methyl]ethanamine
CID 62391325
N-[[1-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-ylmethyl)cyclohexyl]methyl]ethanamine
CID 62258681
1-[1-[[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]methyl]cyclohexyl]-N-methylmethanamine
CID 102728281
1-[1-[[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]methyl]cycloheptyl]-N-methylmethanamine
CID 102728299
N-[[3-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-ylmethyl)oxolan-3-yl]methyl]ethanamine
CID 62258423
N-[[1-[[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]methyl]cyclopentyl]methyl]propan-2-amine
CID 102728272
N-[[4-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylmethyl)oxan-4-yl]methyl]propan-2-amine
CID 82753263
1-[1-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylmethyl)-3-methylcyclohexyl]-N-methylmethanamine
CID 82751322
N-[[1-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylmethyl)cyclopentyl]methyl]ethanamine
CID 113336169
(4aR,8aR)-1-[[1-(bromomethyl)cyclohexyl]methyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline
CID 102727759
[1-[[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]methyl]cycloheptyl]methanol
CID 102728342

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylmethyl)cycloheptyl]methyl]ethanamine?
The IUPAC name of N-[[1-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylmethyl)cycloheptyl]methyl]ethanamine (CID 82751479) is N-[[1-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylmethyl)cycloheptyl]methyl]ethanamine.
What is the SMILES notation for N-[[1-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylmethyl)cycloheptyl]methyl]ethanamine?
The canonical SMILES for N-[[1-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylmethyl)cycloheptyl]methyl]ethanamine is CCNCC1(CN2CCC3CCCCC32)CCCCCC1.
What is the InChIKey of N-[[1-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylmethyl)cycloheptyl]methyl]ethanamine?
The InChIKey is NRRGIZPQFKOJGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H36N2/c1-2-20-15-19(12-7-3-4-8-13-19)16-21-14-11-17-9-5-6-10-18(17)21/h17-18,20H,2-16H2,1H3.
What are the key properties of N-[[1-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylmethyl)cycloheptyl]methyl]ethanamine?
N-[[1-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylmethyl)cycloheptyl]methyl]ethanamine has a molecular weight of 292.51 g/mol, XLogP of 4.20, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylmethyl)cycloheptyl]methyl]ethanamine is sourced from PubChem (CID 82751479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).