N-[furan-2-yl(phenyl)methyl]-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine

C18H22N2O — CID 43752370

IUPACN-[furan-2-yl(phenyl)methyl]-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine
SMILESc1ccc(C(NC2CCN3CCCC23)c2ccco2)cc1
InChIInChI=1S/C18H22N2O/c1-2-6-14(7-3-1)18(17-9-5-13-21-17)19-15-10-12-20-11-4-8-16(15)20/h1-3,5-7,9,13,15-16,18-19H,4,8,10-12H2
InChIKeyDLQLRBZWFSYGAZ-UHFFFAOYSA-N
MW282.39 g/mol
LogP3.20
Rot. Bonds4

About N-[furan-2-yl(phenyl)methyl]-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine

N-[furan-2-yl(phenyl)methyl]-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine (PubChem CID 43752370) has the molecular formula C18H22N2O and a molecular weight of 282.39 g/mol. Its IUPAC name is N-[furan-2-yl(phenyl)methyl]-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine.

Molecular Properties

Compound NameN-[furan-2-yl(phenyl)methyl]-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine
PubChem CID43752370
Molecular FormulaC18H22N2O
Molecular Weight282.39 g/mol
Exact Mass282.17
IUPAC NameN-[furan-2-yl(phenyl)methyl]-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine
SMILESc1ccc(C(NC2CCN3CCCC23)c2ccco2)cc1
InChIInChI=1S/C18H22N2O/c1-2-6-14(7-3-1)18(17-9-5-13-21-17)19-15-10-12-20-11-4-8-16(15)20/h1-3,5-7,9,13,15-16,18-19H,4,8,10-12H2
InChIKeyDLQLRBZWFSYGAZ-UHFFFAOYSA-N
XLogP3.20
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[furan-2-yl(phenyl)methyl]-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine with MolForge

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Related Compounds

N-[1-(furan-2-yl)propyl]-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine
CID 62632367
N-(2,2-dimethyl-1-phenylpropyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine
CID 82853453
N-[furan-2-yl(phenyl)methyl]-2-methoxycyclohexan-1-amine
CID 60781921
N-(1-phenylbutyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine
CID 43752179
N-[furan-2-yl(phenyl)methyl]-1-propan-2-ylpiperidin-4-amine
CID 119109266
N-[furan-2-yl(phenyl)methyl]-1,2-dimethylpiperidin-4-amine
CID 81296842
N-[furan-2-yl(phenyl)methyl]-3-methylsulfanylcyclopentan-1-amine
CID 104531266
3-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)-2-phenylpropanenitrile
CID 64536221
N-[furan-2-yl(phenyl)methyl]-1,5-dimethylpyrrolidin-3-amine
CID 81302357
N-[(1S)-1-(2-methylphenyl)ethyl]-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine
CID 82853310
(1R)-1-(furan-2-yl)-N-[furan-2-yl(phenyl)methyl]ethanamine
CID 81402613
N-[(R)-furan-2-yl(phenyl)methyl]-1-(pyridin-3-ylmethyl)piperidin-4-amine
CID 97229377

Frequently Asked Questions

What is the IUPAC name of N-[furan-2-yl(phenyl)methyl]-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine?
The IUPAC name of N-[furan-2-yl(phenyl)methyl]-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine (CID 43752370) is N-[furan-2-yl(phenyl)methyl]-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine.
What is the SMILES notation for N-[furan-2-yl(phenyl)methyl]-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine?
The canonical SMILES for N-[furan-2-yl(phenyl)methyl]-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine is c1ccc(C(NC2CCN3CCCC23)c2ccco2)cc1.
What is the InChIKey of N-[furan-2-yl(phenyl)methyl]-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine?
The InChIKey is DLQLRBZWFSYGAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O/c1-2-6-14(7-3-1)18(17-9-5-13-21-17)19-15-10-12-20-11-4-8-16(15)20/h1-3,5-7,9,13,15-16,18-19H,4,8,10-12H2.
What are the key properties of N-[furan-2-yl(phenyl)methyl]-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine?
N-[furan-2-yl(phenyl)methyl]-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine has a molecular weight of 282.39 g/mol, XLogP of 3.20, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[furan-2-yl(phenyl)methyl]-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine is sourced from PubChem (CID 43752370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).