N-[[2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylmethyl)furan-3-yl]methyl]-2-methylpropan-2-amine

C17H28N2O — CID 115562284

IUPACN-[[2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylmethyl)furan-3-yl]methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCc1ccoc1CN1CC2CCCC2C1
InChIInChI=1S/C17H28N2O/c1-17(2,3)18-9-13-7-8-20-16(13)12-19-10-14-5-4-6-15(14)11-19/h7-8,14-15,18H,4-6,9-12H2,1-3H3
InChIKeyOZCBSCFBMBMKQW-UHFFFAOYSA-N
MW276.42 g/mol
LogP3.40
Rot. Bonds4

About N-[[2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylmethyl)furan-3-yl]methyl]-2-methylpropan-2-amine

N-[[2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylmethyl)furan-3-yl]methyl]-2-methylpropan-2-amine (PubChem CID 115562284) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is N-[[2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylmethyl)furan-3-yl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylmethyl)furan-3-yl]methyl]-2-methylpropan-2-amine
PubChem CID115562284
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC NameN-[[2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylmethyl)furan-3-yl]methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCc1ccoc1CN1CC2CCCC2C1
InChIInChI=1S/C17H28N2O/c1-17(2,3)18-9-13-7-8-20-16(13)12-19-10-14-5-4-6-15(14)11-19/h7-8,14-15,18H,4-6,9-12H2,1-3H3
InChIKeyOZCBSCFBMBMKQW-UHFFFAOYSA-N
XLogP3.40
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[[2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylmethyl)furan-3-yl]methyl]-2-methylpropan-2-amine with MolForge

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Related Compounds

1-[3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylmethyl)furan-2-yl]-N-methylmethanamine
CID 115562260
1-[[3-[(tert-butylamino)methyl]furan-2-yl]methyl]-N,N,4-trimethylpyrrolidin-3-amine
CID 81463877
N-[[3-[(3,5-dimethylpiperidin-1-yl)methyl]furan-2-yl]methyl]-2-methylpropan-2-amine
CID 62423950
N-[[3-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylmethyl)furan-2-yl]methyl]-2-methylpropan-2-amine
CID 82753136
N-[[6-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylmethyl)-3-pyridinyl]methyl]-2-methylpropan-2-amine
CID 115562170
N-[[3-[(tert-butylamino)methyl]furan-2-yl]methyl]-N-methylcyclopropanamine
CID 62417218
N-[[2-[[cyclobutylmethyl(ethyl)amino]methyl]furan-3-yl]methyl]-2-methylpropan-2-amine
CID 107402009
N-[[2-[(3,4,5-trimethylpiperazin-1-yl)methyl]furan-3-yl]methyl]cyclopropanamine
CID 114540016
N-[[2-[(tert-butylamino)methyl]furan-3-yl]methyl]-N-methylcyclopentanamine
CID 62417012
N-[[3-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ylmethyl)furan-2-yl]methyl]cyclopropanamine
CID 62434248
2-methyl-N-[[2-(1,2,4-triazol-1-ylmethyl)furan-3-yl]methyl]propan-2-amine
CID 62446978
2-methyl-N-[[3-[(2,3,5-trimethylpiperidin-1-yl)methyl]furan-2-yl]methyl]propan-2-amine
CID 114597119

Frequently Asked Questions

What is the IUPAC name of N-[[2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylmethyl)furan-3-yl]methyl]-2-methylpropan-2-amine?
The IUPAC name of 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) is N-[[2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylmethyl)furan-3-yl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylmethyl)furan-3-yl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylmethyl)furan-3-yl]methyl]-2-methylpropan-2-amine is CC(C)(C)NCc1ccoc1CN1CC2CCCC2C1.
What is the InChIKey of N-[[2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylmethyl)furan-3-yl]methyl]-2-methylpropan-2-amine?
The InChIKey is OZCBSCFBMBMKQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-17(2,3)18-9-13-7-8-20-16(13)12-19-10-14-5-4-6-15(14)11-19/h7-8,14-15,18H,4-6,9-12H2,1-3H3.
What are the key properties of N-[[2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylmethyl)furan-3-yl]methyl]-2-methylpropan-2-amine?
N-[[2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylmethyl)furan-3-yl]methyl]-2-methylpropan-2-amine has a molecular weight of 276.42 g/mol, XLogP of 3.40, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylmethyl)furan-3-yl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 115562284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).