N-(furan-2-ylmethyl)-N-methyl-3-pyrrolidin-2-ylpropan-1-amine

C13H22N2O — CID 62479770

IUPACN-(furan-2-ylmethyl)-N-methyl-3-pyrrolidin-2-ylpropan-1-amine
SMILESCN(CCCC1CCCN1)Cc1ccco1
InChIInChI=1S/C13H22N2O/c1-15(11-13-7-4-10-16-13)9-3-6-12-5-2-8-14-12/h4,7,10,12,14H,2-3,5-6,8-9,11H2,1H3
InChIKeyJFUZWTVWXIBXHL-UHFFFAOYSA-N
MW222.33 g/mol
LogP2.24
Rot. Bonds6

About N-(furan-2-ylmethyl)-N-methyl-3-pyrrolidin-2-ylpropan-1-amine

N-(furan-2-ylmethyl)-N-methyl-3-pyrrolidin-2-ylpropan-1-amine (PubChem CID 62479770) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-N-methyl-3-pyrrolidin-2-ylpropan-1-amine.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-N-methyl-3-pyrrolidin-2-ylpropan-1-amine
PubChem CID62479770
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC NameN-(furan-2-ylmethyl)-N-methyl-3-pyrrolidin-2-ylpropan-1-amine
SMILESCN(CCCC1CCCN1)Cc1ccco1
InChIInChI=1S/C13H22N2O/c1-15(11-13-7-4-10-16-13)9-3-6-12-5-2-8-14-12/h4,7,10,12,14H,2-3,5-6,8-9,11H2,1H3
InChIKeyJFUZWTVWXIBXHL-UHFFFAOYSA-N
XLogP2.24
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
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

N-(furan-2-ylmethyl)-N-(2-pyrrolidin-2-ylethyl)cyclopropanamine
CID 55003918
N-methyl-3-pyrrolidin-2-yl-N-(2-thiophen-2-ylethyl)propan-1-amine
CID 79476302
N-[(3-chlorophenyl)methyl]-N-methyl-3-pyrrolidin-2-ylpropan-1-amine
CID 62480473
N-(furan-2-ylmethyl)-N-[[(2R)-pyrrolidin-2-yl]methyl]cyclopropanamine
CID 102819455
N-[(4-bromophenyl)methyl]-N-methyl-3-piperidin-2-ylpropan-1-amine
CID 55047549
N-(furan-2-ylmethyl)-3-piperidin-2-ylpropan-1-amine
CID 62212334
4-[furan-2-ylmethyl(methyl)amino]butan-1-ol
CID 43527145
1-(4-ethylpiperidin-2-yl)-N-(furan-2-ylmethyl)-N-methylmethanamine
CID 114430753
9-bromo-N-(furan-2-ylmethyl)-N-methylnonan-1-amine
CID 105343610
N-(furan-2-ylmethyl)-N-methyl-1-piperidin-4-ylmethanamine
CID 16768453
(2S)-N,N-bis(furan-2-ylmethyl)pyrrolidine-2-carboxamide
CID 61164821
1-(furan-2-yl)-N-(furan-2-ylmethyl)-N-methylmethanamine;hydrochloride
CID 3028206

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-N-methyl-3-pyrrolidin-2-ylpropan-1-amine?
The IUPAC name of N-(furan-2-ylmethyl)-N-methyl-3-pyrrolidin-2-ylpropan-1-amine (CID 62479770) is N-(furan-2-ylmethyl)-N-methyl-3-pyrrolidin-2-ylpropan-1-amine.
What is the SMILES notation for N-(furan-2-ylmethyl)-N-methyl-3-pyrrolidin-2-ylpropan-1-amine?
The canonical SMILES for N-(furan-2-ylmethyl)-N-methyl-3-pyrrolidin-2-ylpropan-1-amine is CN(CCCC1CCCN1)Cc1ccco1.
What is the InChIKey of N-(furan-2-ylmethyl)-N-methyl-3-pyrrolidin-2-ylpropan-1-amine?
The InChIKey is JFUZWTVWXIBXHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O/c1-15(11-13-7-4-10-16-13)9-3-6-12-5-2-8-14-12/h4,7,10,12,14H,2-3,5-6,8-9,11H2,1H3.
What are the key properties of N-(furan-2-ylmethyl)-N-methyl-3-pyrrolidin-2-ylpropan-1-amine?
N-(furan-2-ylmethyl)-N-methyl-3-pyrrolidin-2-ylpropan-1-amine has a molecular weight of 222.33 g/mol, XLogP of 2.24, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-N-methyl-3-pyrrolidin-2-ylpropan-1-amine is sourced from PubChem (CID 62479770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).