N-(furan-2-ylmethyl)-2-(2-methylpyrrolidin-1-yl)propan-1-amine

C13H22N2O — CID 62557113

IUPACN-(furan-2-ylmethyl)-2-(2-methylpyrrolidin-1-yl)propan-1-amine
SMILESCC1CCCN1C(C)CNCc1ccco1
InChIInChI=1S/C13H22N2O/c1-11-5-3-7-15(11)12(2)9-14-10-13-6-4-8-16-13/h4,6,8,11-12,14H,3,5,7,9-10H2,1-2H3
InChIKeyFUPBFGHXQMETOA-UHFFFAOYSA-N
MW222.33 g/mol
LogP2.24
Rot. Bonds5

About N-(furan-2-ylmethyl)-2-(2-methylpyrrolidin-1-yl)propan-1-amine

N-(furan-2-ylmethyl)-2-(2-methylpyrrolidin-1-yl)propan-1-amine (PubChem CID 62557113) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-2-(2-methylpyrrolidin-1-yl)propan-1-amine.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-2-(2-methylpyrrolidin-1-yl)propan-1-amine
PubChem CID62557113
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC NameN-(furan-2-ylmethyl)-2-(2-methylpyrrolidin-1-yl)propan-1-amine
SMILESCC1CCCN1C(C)CNCc1ccco1
InChIInChI=1S/C13H22N2O/c1-11-5-3-7-15(11)12(2)9-14-10-13-6-4-8-16-13/h4,6,8,11-12,14H,3,5,7,9-10H2,1-2H3
InChIKeyFUPBFGHXQMETOA-UHFFFAOYSA-N
XLogP2.24
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(furan-2-ylmethyl)-3-[(2S)-2-[(2R)-2-methylpiperidin-1-yl]propyl]thiourea
CID 51881993
2-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-N-(furan-2-ylmethyl)propan-1-amine
CID 62569548
2-[4-[(dimethylamino)methyl]piperidin-1-yl]-N-(furan-2-ylmethyl)propan-1-amine
CID 62570711
2-cyclopentylsulfanyl-N-(furan-2-ylmethyl)propan-1-amine
CID 63115985
2-(3-ethylsulfonylthiomorpholin-4-yl)-N-(furan-2-ylmethyl)propan-1-amine
CID 66375609
1-[1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]-3-methylpiperidine-2-carboxylic acid
CID 107072033
N-(furan-2-ylmethyl)-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propan-1-amine
CID 62557140
N-(furan-2-ylmethyl)-2-phenyl-2-pyrrolidin-1-ylethanamine
CID 43180875
methyl 1-[1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]pyrrolidine-2-carboxylate
CID 62026904
2-(cyclopropylmethoxy)-N-(furan-2-ylmethyl)propan-1-amine
CID 62597661
N-(furan-2-ylmethyl)-2-methylbutan-1-amine
CID 43200420
N-(furan-2-ylmethyl)-2-(2-methylpiperazin-1-yl)propanamide
CID 62671401

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-2-(2-methylpyrrolidin-1-yl)propan-1-amine?
The IUPAC name of N-(furan-2-ylmethyl)-2-(2-methylpyrrolidin-1-yl)propan-1-amine (CID 62557113) is N-(furan-2-ylmethyl)-2-(2-methylpyrrolidin-1-yl)propan-1-amine.
What is the SMILES notation for N-(furan-2-ylmethyl)-2-(2-methylpyrrolidin-1-yl)propan-1-amine?
The canonical SMILES for N-(furan-2-ylmethyl)-2-(2-methylpyrrolidin-1-yl)propan-1-amine is CC1CCCN1C(C)CNCc1ccco1.
What is the InChIKey of N-(furan-2-ylmethyl)-2-(2-methylpyrrolidin-1-yl)propan-1-amine?
The InChIKey is FUPBFGHXQMETOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O/c1-11-5-3-7-15(11)12(2)9-14-10-13-6-4-8-16-13/h4,6,8,11-12,14H,3,5,7,9-10H2,1-2H3.
What are the key properties of N-(furan-2-ylmethyl)-2-(2-methylpyrrolidin-1-yl)propan-1-amine?
N-(furan-2-ylmethyl)-2-(2-methylpyrrolidin-1-yl)propan-1-amine has a molecular weight of 222.33 g/mol, XLogP of 2.24, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-2-(2-methylpyrrolidin-1-yl)propan-1-amine is sourced from PubChem (CID 62557113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).