2-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-N-(furan-2-ylmethyl)propan-1-amine

C17H28N2O — CID 62569548

IUPAC2-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-N-(furan-2-ylmethyl)propan-1-amine
SMILESCC(CNCc1ccco1)N1CCC2CCCCC2C1
InChIInChI=1S/C17H28N2O/c1-14(11-18-12-17-7-4-10-20-17)19-9-8-15-5-2-3-6-16(15)13-19/h4,7,10,14-16,18H,2-3,5-6,8-9,11-13H2,1H3
InChIKeyPHMNQFOEVKWKLY-UHFFFAOYSA-N
MW276.42 g/mol
LogP3.27
Rot. Bonds5

About 2-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-N-(furan-2-ylmethyl)propan-1-amine

2-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-N-(furan-2-ylmethyl)propan-1-amine (PubChem CID 62569548) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is 2-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-N-(furan-2-ylmethyl)propan-1-amine.

Molecular Properties

Compound Name2-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-N-(furan-2-ylmethyl)propan-1-amine
PubChem CID62569548
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC Name2-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-N-(furan-2-ylmethyl)propan-1-amine
SMILESCC(CNCc1ccco1)N1CCC2CCCCC2C1
InChIInChI=1S/C17H28N2O/c1-14(11-18-12-17-7-4-10-20-17)19-9-8-15-5-2-3-6-16(15)13-19/h4,7,10,14-16,18H,2-3,5-6,8-9,11-13H2,1H3
InChIKeyPHMNQFOEVKWKLY-UHFFFAOYSA-N
XLogP3.27
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-N-(furan-2-ylmethyl)propan-1-amine with MolForge

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Related Compounds

2-[4-[(dimethylamino)methyl]piperidin-1-yl]-N-(furan-2-ylmethyl)propan-1-amine
CID 62570711
N-(furan-2-ylmethyl)-2-(2-methylpyrrolidin-1-yl)propan-1-amine
CID 62557113
N-(furan-2-ylmethyl)-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propan-1-amine
CID 62557140
N-(furan-2-ylmethyl)-3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-amine
CID 61240026
2-cyclopentylsulfanyl-N-(furan-2-ylmethyl)propan-1-amine
CID 63115985
N-(furan-2-ylmethyl)-2-phenyl-2-pyrrolidin-1-ylethanamine
CID 43180875
3-cyclohexyl-1-[4-(furan-2-yl)butan-2-yl]piperazine
CID 64953713
2-(cyclopropylmethoxy)-N-(furan-2-ylmethyl)propan-1-amine
CID 62597661
N-(furan-2-ylmethyl)-2-methylbutan-1-amine
CID 43200420
1-[1-(furan-2-yl)propan-2-yl]-N,3-dimethylpiperidin-4-amine
CID 54975952
1-(furan-2-ylmethyl)-3-[(2S)-2-[(2R)-2-methylpiperidin-1-yl]propyl]thiourea
CID 51881993
2-N-(cyclopropylmethyl)-1-N-(furan-2-ylmethyl)-2-N-methylpropane-1,2-diamine
CID 62569948

Frequently Asked Questions

What is the IUPAC name of 2-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-N-(furan-2-ylmethyl)propan-1-amine?
The IUPAC name of 2-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-N-(furan-2-ylmethyl)propan-1-amine (CID 62569548) is 2-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-N-(furan-2-ylmethyl)propan-1-amine.
What is the SMILES notation for 2-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-N-(furan-2-ylmethyl)propan-1-amine?
The canonical SMILES for 2-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-N-(furan-2-ylmethyl)propan-1-amine is CC(CNCc1ccco1)N1CCC2CCCCC2C1.
What is the InChIKey of 2-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-N-(furan-2-ylmethyl)propan-1-amine?
The InChIKey is PHMNQFOEVKWKLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-14(11-18-12-17-7-4-10-20-17)19-9-8-15-5-2-3-6-16(15)13-19/h4,7,10,14-16,18H,2-3,5-6,8-9,11-13H2,1H3.
What are the key properties of 2-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-N-(furan-2-ylmethyl)propan-1-amine?
2-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-N-(furan-2-ylmethyl)propan-1-amine has a molecular weight of 276.42 g/mol, XLogP of 3.27, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-N-(furan-2-ylmethyl)propan-1-amine is sourced from PubChem (CID 62569548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).