N-(2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-ylmethyl)-N-methylpentan-2-amine

C15H30N2 — CID 43572228

IUPACN-(2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-ylmethyl)-N-methylpentan-2-amine
SMILESCCCC(C)N(C)CC1CC2CCCCC2N1
InChIInChI=1S/C15H30N2/c1-4-7-12(2)17(3)11-14-10-13-8-5-6-9-15(13)16-14/h12-16H,4-11H2,1-3H3
InChIKeyOLSVTZWLFOAIJE-UHFFFAOYSA-N
MW238.42 g/mol
LogP3.03
Rot. Bonds5

About N-(2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-ylmethyl)-N-methylpentan-2-amine

N-(2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-ylmethyl)-N-methylpentan-2-amine (PubChem CID 43572228) has the molecular formula C15H30N2 and a molecular weight of 238.42 g/mol. Its IUPAC name is N-(2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-ylmethyl)-N-methylpentan-2-amine.

Molecular Properties

Compound NameN-(2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-ylmethyl)-N-methylpentan-2-amine
PubChem CID43572228
Molecular FormulaC15H30N2
Molecular Weight238.42 g/mol
Exact Mass238.24
IUPAC NameN-(2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-ylmethyl)-N-methylpentan-2-amine
SMILESCCCC(C)N(C)CC1CC2CCCCC2N1
InChIInChI=1S/C15H30N2/c1-4-7-12(2)17(3)11-14-10-13-8-5-6-9-15(13)16-14/h12-16H,4-11H2,1-3H3
InChIKeyOLSVTZWLFOAIJE-UHFFFAOYSA-N
XLogP3.03
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.42
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-ylmethyl)-N,2-dimethylpropan-1-amine
CID 43272229
N-(2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-ylmethyl)-N-ethylpropan-1-amine
CID 43268882
N-(2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-ylmethyl)-N-ethylcyclopropanamine
CID 43264303
N-(2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-ylmethyl)-2-ethoxy-N-(2-ethoxyethyl)ethanamine
CID 82960788
N-(2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-ylmethyl)-2-ethoxy-N-ethylethanamine
CID 55227896
N-(2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-ylmethyl)-N-methyl-2-methylsulfanylethanamine
CID 112660736
N-(2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-ylmethyl)-N-methyl-2-methylsulfonylethanamine
CID 79863863
1-(2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-yl)-N-[(4-fluorophenyl)methyl]-N-methylmethanamine
CID 61413648
N-(2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-ylmethyl)-N-(oxolan-2-ylmethyl)ethanamine
CID 61435668
1-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-yl)-N,N-dimethylmethanamine
CID 66469009
2-[[methyl(pentan-2-yl)amino]methyl]cyclohexan-1-ol
CID 62608844
N-(2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-ylmethyl)-N-methyl-2-phenylethanamine
CID 65487131

Frequently Asked Questions

What is the IUPAC name of N-(2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-ylmethyl)-N-methylpentan-2-amine?
The IUPAC name of N-(2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-ylmethyl)-N-methylpentan-2-amine (CID 43572228) is N-(2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-ylmethyl)-N-methylpentan-2-amine.
What is the SMILES notation for N-(2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-ylmethyl)-N-methylpentan-2-amine?
The canonical SMILES for N-(2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-ylmethyl)-N-methylpentan-2-amine is CCCC(C)N(C)CC1CC2CCCCC2N1.
What is the InChIKey of N-(2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-ylmethyl)-N-methylpentan-2-amine?
The InChIKey is OLSVTZWLFOAIJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2/c1-4-7-12(2)17(3)11-14-10-13-8-5-6-9-15(13)16-14/h12-16H,4-11H2,1-3H3.
What are the key properties of N-(2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-ylmethyl)-N-methylpentan-2-amine?
N-(2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-ylmethyl)-N-methylpentan-2-amine has a molecular weight of 238.42 g/mol, XLogP of 3.03, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-ylmethyl)-N-methylpentan-2-amine is sourced from PubChem (CID 43572228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).