N-[[3-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylmethyl)furan-2-yl]methyl]-2-methylpropan-2-amine

C18H30N2O — CID 82753136

IUPACN-[[3-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylmethyl)furan-2-yl]methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCc1occc1CN1CCC2CCCCC21
InChIInChI=1S/C18H30N2O/c1-18(2,3)19-12-17-15(9-11-21-17)13-20-10-8-14-6-4-5-7-16(14)20/h9,11,14,16,19H,4-8,10,12-13H2,1-3H3
InChIKeyJYJXADLPSOKHFA-UHFFFAOYSA-N
MW290.45 g/mol
LogP3.93
Rot. Bonds4

About N-[[3-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylmethyl)furan-2-yl]methyl]-2-methylpropan-2-amine

N-[[3-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylmethyl)furan-2-yl]methyl]-2-methylpropan-2-amine (PubChem CID 82753136) has the molecular formula C18H30N2O and a molecular weight of 290.45 g/mol. Its IUPAC name is N-[[3-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylmethyl)furan-2-yl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[3-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylmethyl)furan-2-yl]methyl]-2-methylpropan-2-amine
PubChem CID82753136
Molecular FormulaC18H30N2O
Molecular Weight290.45 g/mol
Exact Mass290.24
IUPAC NameN-[[3-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylmethyl)furan-2-yl]methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCc1occc1CN1CCC2CCCCC21
InChIInChI=1S/C18H30N2O/c1-18(2,3)19-12-17-15(9-11-21-17)13-20-10-8-14-6-4-5-7-16(14)20/h9,11,14,16,19H,4-8,10,12-13H2,1-3H3
InChIKeyJYJXADLPSOKHFA-UHFFFAOYSA-N
XLogP3.93
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[[3-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylmethyl)furan-2-yl]methyl]-2-methylpropan-2-amine with MolForge

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Related Compounds

N-[[3-[[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]methyl]furan-2-yl]methyl]propan-2-amine
CID 102728475
N-[[2-[[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]methyl]furan-3-yl]methyl]ethanamine
CID 102728468
N-[[2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylmethyl)furan-3-yl]methyl]-2-methylpropan-2-amine
CID 115562284
2-methyl-N-[[3-[(2,3,5-trimethylpiperidin-1-yl)methyl]furan-2-yl]methyl]propan-2-amine
CID 114597119
N-[[2-[(tert-butylamino)methyl]furan-3-yl]methyl]-N-methylcyclopentanamine
CID 62417012
N-[[3-(cyclopentyloxymethyl)furan-2-yl]methyl]-2-methylpropan-2-amine
CID 55072771
N-[[3-[(3,5-dimethylpiperidin-1-yl)methyl]furan-2-yl]methyl]-2-methylpropan-2-amine
CID 62423950
N-[[5-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-ylmethyl)furan-2-yl]methyl]-2-methylpropan-2-amine
CID 65322579
1-[3-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-ylmethyl)furan-2-yl]-N-methylmethanamine
CID 55072456
1-[2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylmethyl)phenyl]-N-methylmethanamine
CID 82752108
N-methyl-1-[3-[(2-methylpiperidin-1-yl)methyl]furan-2-yl]methanamine
CID 62438856
3-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-ylmethyl)furan-2-carboxylic acid
CID 43628352

Frequently Asked Questions

What is the IUPAC name of N-[[3-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylmethyl)furan-2-yl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[3-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylmethyl)furan-2-yl]methyl]-2-methylpropan-2-amine (CID 82753136) is N-[[3-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylmethyl)furan-2-yl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[3-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylmethyl)furan-2-yl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[3-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylmethyl)furan-2-yl]methyl]-2-methylpropan-2-amine is CC(C)(C)NCc1occc1CN1CCC2CCCCC21.
What is the InChIKey of N-[[3-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylmethyl)furan-2-yl]methyl]-2-methylpropan-2-amine?
The InChIKey is JYJXADLPSOKHFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O/c1-18(2,3)19-12-17-15(9-11-21-17)13-20-10-8-14-6-4-5-7-16(14)20/h9,11,14,16,19H,4-8,10,12-13H2,1-3H3.
What are the key properties of N-[[3-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylmethyl)furan-2-yl]methyl]-2-methylpropan-2-amine?
N-[[3-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylmethyl)furan-2-yl]methyl]-2-methylpropan-2-amine has a molecular weight of 290.45 g/mol, XLogP of 3.93, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylmethyl)furan-2-yl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 82753136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).