1-(2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-yl)-N-(furan-2-ylmethyl)methanamine

C14H22N2O — CID 61150490

IUPAC1-(2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-yl)-N-(furan-2-ylmethyl)methanamine
SMILESc1coc(CNCC2CC3CCCCC3N2)c1
InChIInChI=1S/C14H22N2O/c1-2-6-14-11(4-1)8-12(16-14)9-15-10-13-5-3-7-17-13/h3,5,7,11-12,14-16H,1-2,4,6,8-10H2
InChIKeyLSXDFNWGXUEWNH-UHFFFAOYSA-N
MW234.34 g/mol
LogP2.29
Rot. Bonds4

About 1-(2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-yl)-N-(furan-2-ylmethyl)methanamine

1-(2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-yl)-N-(furan-2-ylmethyl)methanamine (PubChem CID 61150490) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is 1-(2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-yl)-N-(furan-2-ylmethyl)methanamine.

Molecular Properties

Compound Name1-(2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-yl)-N-(furan-2-ylmethyl)methanamine
PubChem CID61150490
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name1-(2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-yl)-N-(furan-2-ylmethyl)methanamine
SMILESc1coc(CNCC2CC3CCCCC3N2)c1
InChIInChI=1S/C14H22N2O/c1-2-6-14-11(4-1)8-12(16-14)9-15-10-13-5-3-7-17-13/h3,5,7,11-12,14-16H,1-2,4,6,8-10H2
InChIKeyLSXDFNWGXUEWNH-UHFFFAOYSA-N
XLogP2.29
TPSA37.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-(2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-yl)-N-(furan-2-ylmethyl)methanamine with MolForge

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Related Compounds

1-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-yl)-N-(furan-2-ylmethyl)methanamine
CID 66470212
N-(2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-ylmethyl)-2-(furan-2-yl)ethanamine
CID 54954739
N-(2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-ylmethyl)-2,2-difluoroethanamine
CID 115407364
N-(furan-2-ylmethyl)-1-(oxan-2-yl)methanamine
CID 43403599
N-(furan-2-ylmethyl)-1-(2-methylcyclopentyl)methanamine
CID 107178330
2-cyclohexyl-N-(furan-2-ylmethyl)cyclopropan-1-amine
CID 115655073
N-[1-(furan-2-yl)propan-2-yl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
CID 43705208
N-(furan-2-ylmethyl)-3-piperidin-2-ylpropan-1-amine
CID 62212334
1-(1-ethylpiperidin-2-yl)-N-(furan-2-ylmethyl)methanamine
CID 115621753
1-(2,3-dihydro-1H-inden-2-yl)-N-(furan-2-ylmethyl)methanamine
CID 103675715
N-(furan-2-ylmethyl)-1-(1,2,3,4-tetrahydronaphthalen-1-yl)methanamine
CID 54878651
N-cyclopentyl-2-(furan-2-ylmethylamino)acetamide
CID 28586516

Frequently Asked Questions

What is the IUPAC name of 1-(2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-yl)-N-(furan-2-ylmethyl)methanamine?
The IUPAC name of 1-(2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-yl)-N-(furan-2-ylmethyl)methanamine (CID 61150490) is 1-(2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-yl)-N-(furan-2-ylmethyl)methanamine.
What is the SMILES notation for 1-(2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-yl)-N-(furan-2-ylmethyl)methanamine?
The canonical SMILES for 1-(2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-yl)-N-(furan-2-ylmethyl)methanamine is c1coc(CNCC2CC3CCCCC3N2)c1.
What is the InChIKey of 1-(2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-yl)-N-(furan-2-ylmethyl)methanamine?
The InChIKey is LSXDFNWGXUEWNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-2-6-14-11(4-1)8-12(16-14)9-15-10-13-5-3-7-17-13/h3,5,7,11-12,14-16H,1-2,4,6,8-10H2.
What are the key properties of 1-(2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-yl)-N-(furan-2-ylmethyl)methanamine?
1-(2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-yl)-N-(furan-2-ylmethyl)methanamine has a molecular weight of 234.34 g/mol, XLogP of 2.29, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-yl)-N-(furan-2-ylmethyl)methanamine is sourced from PubChem (CID 61150490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).