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

C15H24N2O — CID 54954739

IUPACN-(2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-ylmethyl)-2-(furan-2-yl)ethanamine
SMILESc1coc(CCNCC2CC3CCCCC3N2)c1
InChIInChI=1S/C15H24N2O/c1-2-6-15-12(4-1)10-13(17-15)11-16-8-7-14-5-3-9-18-14/h3,5,9,12-13,15-17H,1-2,4,6-8,10-11H2
InChIKeyMESJUWCDRLCKEC-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.33
Rot. Bonds5

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

N-(2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-ylmethyl)-2-(furan-2-yl)ethanamine (PubChem CID 54954739) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is N-(2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-ylmethyl)-2-(furan-2-yl)ethanamine.

Molecular Properties

Compound NameN-(2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-ylmethyl)-2-(furan-2-yl)ethanamine
PubChem CID54954739
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC NameN-(2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-ylmethyl)-2-(furan-2-yl)ethanamine
SMILESc1coc(CCNCC2CC3CCCCC3N2)c1
InChIInChI=1S/C15H24N2O/c1-2-6-15-12(4-1)10-13(17-15)11-16-8-7-14-5-3-9-18-14/h3,5,9,12-13,15-17H,1-2,4,6-8,10-11H2
InChIKeyMESJUWCDRLCKEC-UHFFFAOYSA-N
XLogP2.33
TPSA37.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-yl)-N-(furan-2-ylmethyl)methanamine
CID 61150490
1-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-yl)-N-(furan-2-ylmethyl)methanamine
CID 66470212
N-(2,3-dihydro-1H-indol-2-ylmethyl)-2-(furan-2-yl)ethanamine
CID 80567501
2-(furan-2-yl)-N-[(3-methylpiperidin-2-yl)methyl]ethanamine
CID 107069094
N-(2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-ylmethyl)-2,2-difluoroethanamine
CID 115407364
N-(1,3-dioxan-4-ylmethyl)-2-(furan-2-yl)ethanamine
CID 81102042
N-[1-(furan-2-yl)propan-2-yl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
CID 43705208
2-(azetidin-3-yl)-N-[2-(furan-2-yl)ethyl]ethanamine
CID 116679692
N-[2-(furan-2-yl)ethyl]-1,4,4a,5,6,7,8,8a-octahydrobenzo[d][1,3]thiazin-2-imine
CID 136746989
N-[2-(furan-2-yl)ethyl]cyclopentanecarboxamide
CID 110733508
N-[3-(furan-2-yl)propyl]cycloheptanamine
CID 60984430
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)-2-(furan-2-yl)ethanamine?
The IUPAC name of N-(2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-ylmethyl)-2-(furan-2-yl)ethanamine (CID 54954739) is N-(2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-ylmethyl)-2-(furan-2-yl)ethanamine.
What is the SMILES notation for N-(2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-ylmethyl)-2-(furan-2-yl)ethanamine?
The canonical SMILES for N-(2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-ylmethyl)-2-(furan-2-yl)ethanamine is c1coc(CCNCC2CC3CCCCC3N2)c1.
What is the InChIKey of N-(2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-ylmethyl)-2-(furan-2-yl)ethanamine?
The InChIKey is MESJUWCDRLCKEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-2-6-15-12(4-1)10-13(17-15)11-16-8-7-14-5-3-9-18-14/h3,5,9,12-13,15-17H,1-2,4,6-8,10-11H2.
What are the key properties of N-(2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-ylmethyl)-2-(furan-2-yl)ethanamine?
N-(2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-ylmethyl)-2-(furan-2-yl)ethanamine has a molecular weight of 248.37 g/mol, XLogP of 2.33, 5 rotatable bonds, 2 hydrogen bond donors, and 3 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)-2-(furan-2-yl)ethanamine is sourced from PubChem (CID 54954739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).