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

C18H30N2O — CID 62434242

IUPACN-[[5-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ylmethyl)furan-2-yl]methyl]propan-2-amine
SMILESCC(C)NCc1ccc(CN2CCC3CCCCC3C2)o1
InChIInChI=1S/C18H30N2O/c1-14(2)19-11-17-7-8-18(21-17)13-20-10-9-15-5-3-4-6-16(15)12-20/h7-8,14-16,19H,3-6,9-13H2,1-2H3
InChIKeyNVHAFIHSORWYLG-UHFFFAOYSA-N
MW290.45 g/mol
LogP3.79
Rot. Bonds5

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

N-[[5-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ylmethyl)furan-2-yl]methyl]propan-2-amine (PubChem CID 62434242) has the molecular formula C18H30N2O and a molecular weight of 290.45 g/mol. Its IUPAC name is N-[[5-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ylmethyl)furan-2-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[5-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ylmethyl)furan-2-yl]methyl]propan-2-amine
PubChem CID62434242
Molecular FormulaC18H30N2O
Molecular Weight290.45 g/mol
Exact Mass290.24
IUPAC NameN-[[5-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ylmethyl)furan-2-yl]methyl]propan-2-amine
SMILESCC(C)NCc1ccc(CN2CCC3CCCCC3C2)o1
InChIInChI=1S/C18H30N2O/c1-14(2)19-11-17-7-8-18(21-17)13-20-10-9-15-5-3-4-6-16(15)12-20/h7-8,14-16,19H,3-6,9-13H2,1-2H3
InChIKeyNVHAFIHSORWYLG-UHFFFAOYSA-N
XLogP3.79
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

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Launch Full Analysis

Related Compounds

N-[[5-[(4-methylazepan-1-yl)methyl]furan-2-yl]methyl]propan-2-amine
CID 63627373
N-[[5-[(3,4,5-trimethylpiperazin-1-yl)methyl]furan-2-yl]methyl]propan-2-amine
CID 114537889
N-[[5-[(3-propoxypiperidin-1-yl)methyl]furan-2-yl]methyl]propan-2-amine
CID 62411193
1-[(5-bromofuran-2-yl)methyl]-3-cyclopropylpyrrolidine
CID 130909482
N-[[5-[(4-ethyl-4-methylpiperidin-1-yl)methyl]furan-2-yl]methyl]propan-2-amine
CID 63159975
N-[[5-[(4-butan-2-ylpiperazin-1-yl)methyl]furan-2-yl]methyl]propan-2-amine
CID 62774837
N-[[5-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylsulfonyl)furan-2-yl]methyl]propan-2-amine
CID 115562686
N-[[2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylmethyl)phenyl]methyl]propan-2-amine
CID 115562255
N-methyl-N-[[5-[(propan-2-ylamino)methyl]furan-2-yl]methyl]cyclopentanamine
CID 62418506
N-[[5-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ylmethyl)thiophen-2-yl]methyl]ethanamine
CID 107556031
N-methyl-N-[[5-[(propan-2-ylamino)methyl]furan-2-yl]methyl]cyclopropanamine
CID 62417034
N-[[2-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)phenyl]methyl]propan-2-amine
CID 43620593

Frequently Asked Questions

What is the IUPAC name of N-[[5-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ylmethyl)furan-2-yl]methyl]propan-2-amine?
The IUPAC name of N-[[5-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ylmethyl)furan-2-yl]methyl]propan-2-amine (CID 62434242) is N-[[5-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ylmethyl)furan-2-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[5-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ylmethyl)furan-2-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[5-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ylmethyl)furan-2-yl]methyl]propan-2-amine is CC(C)NCc1ccc(CN2CCC3CCCCC3C2)o1.
What is the InChIKey of N-[[5-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ylmethyl)furan-2-yl]methyl]propan-2-amine?
The InChIKey is NVHAFIHSORWYLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O/c1-14(2)19-11-17-7-8-18(21-17)13-20-10-9-15-5-3-4-6-16(15)12-20/h7-8,14-16,19H,3-6,9-13H2,1-2H3.
What are the key properties of N-[[5-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ylmethyl)furan-2-yl]methyl]propan-2-amine?
N-[[5-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ylmethyl)furan-2-yl]methyl]propan-2-amine has a molecular weight of 290.45 g/mol, XLogP of 3.79, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ylmethyl)furan-2-yl]methyl]propan-2-amine is sourced from PubChem (CID 62434242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).