1-(furan-2-yl)-N-methyl-N-(pyrrolidin-2-ylmethyl)propan-1-amine

C13H22N2O — CID 106602720

IUPAC1-(furan-2-yl)-N-methyl-N-(pyrrolidin-2-ylmethyl)propan-1-amine
SMILESCCC(c1ccco1)N(C)CC1CCCN1
InChIInChI=1S/C13H22N2O/c1-3-12(13-7-5-9-16-13)15(2)10-11-6-4-8-14-11/h5,7,9,11-12,14H,3-4,6,8,10H2,1-2H3
InChIKeyMNDZHEQSKLOPCJ-UHFFFAOYSA-N
MW222.33 g/mol
LogP2.41
Rot. Bonds5

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

1-(furan-2-yl)-N-methyl-N-(pyrrolidin-2-ylmethyl)propan-1-amine (PubChem CID 106602720) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is 1-(furan-2-yl)-N-methyl-N-(pyrrolidin-2-ylmethyl)propan-1-amine.

Molecular Properties

Compound Name1-(furan-2-yl)-N-methyl-N-(pyrrolidin-2-ylmethyl)propan-1-amine
PubChem CID106602720
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC Name1-(furan-2-yl)-N-methyl-N-(pyrrolidin-2-ylmethyl)propan-1-amine
SMILESCCC(c1ccco1)N(C)CC1CCCN1
InChIInChI=1S/C13H22N2O/c1-3-12(13-7-5-9-16-13)15(2)10-11-6-4-8-14-11/h5,7,9,11-12,14H,3-4,6,8,10H2,1-2H3
InChIKeyMNDZHEQSKLOPCJ-UHFFFAOYSA-N
XLogP2.41
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 ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(cyclopropylmethyl)-1-(furan-2-yl)-N-(pyrrolidin-2-ylmethyl)propan-1-amine
CID 106604534
(1S)-1-(furan-2-yl)-N-methyl-N-[[(2S)-piperidin-2-yl]methyl]ethanamine
CID 97162149
N-[1-(furan-2-yl)ethyl]-N-(pyrrolidin-2-ylmethyl)butan-1-amine
CID 106604775
N-methyl-N-[[(2S)-pyrrolidin-2-yl]methyl]butan-2-amine
CID 104870141
N-[1-(furan-2-yl)ethyl]-2-[methyl(pyrrolidin-2-ylmethyl)amino]acetamide
CID 106614141
(1R)-1-(furan-2-yl)-2-[(2S)-pyrrolidin-2-yl]ethanol
CID 95975648
N-methyl-1,1-diphenyl-N-(pyrrolidin-2-ylmethyl)methanamine
CID 106602654
N,2-dimethyl-1-phenyl-N-(pyrrolidin-2-ylmethyl)propan-1-amine
CID 106602398
1-cyclopropyl-N-methyl-N-(pyrrolidin-2-ylmethyl)propan-1-amine
CID 106602779
1-(furan-2-yl)-N-(piperidin-4-ylmethyl)-N-propan-2-ylpropan-1-amine
CID 79715208
(2R)-2-[[(1R)-1-(furan-2-yl)ethoxy]methyl]piperidine
CID 97162402
N-(furan-2-ylmethyl)-N-[[(2R)-pyrrolidin-2-yl]methyl]cyclopropanamine
CID 102819455

Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-yl)-N-methyl-N-(pyrrolidin-2-ylmethyl)propan-1-amine?
The IUPAC name of 1-(furan-2-yl)-N-methyl-N-(pyrrolidin-2-ylmethyl)propan-1-amine (CID 106602720) is 1-(furan-2-yl)-N-methyl-N-(pyrrolidin-2-ylmethyl)propan-1-amine.
What is the SMILES notation for 1-(furan-2-yl)-N-methyl-N-(pyrrolidin-2-ylmethyl)propan-1-amine?
The canonical SMILES for 1-(furan-2-yl)-N-methyl-N-(pyrrolidin-2-ylmethyl)propan-1-amine is CCC(c1ccco1)N(C)CC1CCCN1.
What is the InChIKey of 1-(furan-2-yl)-N-methyl-N-(pyrrolidin-2-ylmethyl)propan-1-amine?
The InChIKey is MNDZHEQSKLOPCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O/c1-3-12(13-7-5-9-16-13)15(2)10-11-6-4-8-14-11/h5,7,9,11-12,14H,3-4,6,8,10H2,1-2H3.
What are the key properties of 1-(furan-2-yl)-N-methyl-N-(pyrrolidin-2-ylmethyl)propan-1-amine?
1-(furan-2-yl)-N-methyl-N-(pyrrolidin-2-ylmethyl)propan-1-amine has a molecular weight of 222.33 g/mol, XLogP of 2.41, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-yl)-N-methyl-N-(pyrrolidin-2-ylmethyl)propan-1-amine is sourced from PubChem (CID 106602720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).