N-(furan-2-ylmethyl)-N-[[(2R)-pyrrolidin-2-yl]methyl]cyclopropanamine

C13H20N2O — CID 102819455

IUPACN-(furan-2-ylmethyl)-N-[[(2R)-pyrrolidin-2-yl]methyl]cyclopropanamine
SMILESc1coc(CN(C[C@H]2CCCN2)C2CC2)c1
InChIInChI=1S/C13H20N2O/c1-3-11(14-7-1)9-15(12-5-6-12)10-13-4-2-8-16-13/h2,4,8,11-12,14H,1,3,5-7,9-10H2/t11-/m1/s1
InChIKeyNDMRXOWJNCVWJA-LLVKDONJSA-N
MW220.32 g/mol
LogP2.00
Rot. Bonds5

About N-(furan-2-ylmethyl)-N-[[(2R)-pyrrolidin-2-yl]methyl]cyclopropanamine

N-(furan-2-ylmethyl)-N-[[(2R)-pyrrolidin-2-yl]methyl]cyclopropanamine (PubChem CID 102819455) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-N-[[(2R)-pyrrolidin-2-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-N-[[(2R)-pyrrolidin-2-yl]methyl]cyclopropanamine
PubChem CID102819455
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC NameN-(furan-2-ylmethyl)-N-[[(2R)-pyrrolidin-2-yl]methyl]cyclopropanamine
SMILESc1coc(CN(C[C@H]2CCCN2)C2CC2)c1
InChIInChI=1S/C13H20N2O/c1-3-11(14-7-1)9-15(12-5-6-12)10-13-4-2-8-16-13/h2,4,8,11-12,14H,1,3,5-7,9-10H2/t11-/m1/s1
InChIKeyNDMRXOWJNCVWJA-LLVKDONJSA-N
XLogP2.00
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 52.00
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-[(3-methylfuran-2-yl)methyl]-N-(pyrrolidin-2-ylmethyl)cyclopropanamine
CID 106598988
N-(furan-2-ylmethyl)-N-methyl-3-pyrrolidin-2-ylpropan-1-amine
CID 62479770
N-cyclopropyl-3-(furan-2-yl)-N-(piperidin-2-ylmethyl)propanamide
CID 106626726
N-[(5-ethylthiophen-2-yl)methyl]-N-(pyrrolidin-2-ylmethyl)cyclopropanamine
CID 106598928
2-[cyclopropyl(pyrrolidin-2-ylmethyl)amino]-N-(furan-2-ylmethyl)propanamide
CID 106599799
N-[(2,6-dichlorophenyl)methyl]-N-(piperidin-2-ylmethyl)cyclopropanamine
CID 106621780
N-[(5-methyl-1,3-oxazol-4-yl)methyl]-N-(pyrrolidin-2-ylmethyl)cyclopropanamine
CID 106599991
N-[2-(azetidin-3-yl)ethyl]-N-(furan-2-ylmethyl)cyclopropanamine
CID 116679776
N-[(3,4-dimethylphenyl)methyl]-N-(pyrrolidin-2-ylmethyl)cyclopropanamine
CID 106599047
N-[(2,5-difluorophenyl)methyl]-N-(pyrrolidin-2-ylmethyl)cyclopropanamine
CID 104973976
N-[(4-methylsulfanylphenyl)methyl]-N-(pyrrolidin-2-ylmethyl)cyclopropanamine
CID 103519894

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-N-[[(2R)-pyrrolidin-2-yl]methyl]cyclopropanamine?
The IUPAC name of N-(furan-2-ylmethyl)-N-[[(2R)-pyrrolidin-2-yl]methyl]cyclopropanamine (CID 102819455) is N-(furan-2-ylmethyl)-N-[[(2R)-pyrrolidin-2-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-(furan-2-ylmethyl)-N-[[(2R)-pyrrolidin-2-yl]methyl]cyclopropanamine?
The canonical SMILES for N-(furan-2-ylmethyl)-N-[[(2R)-pyrrolidin-2-yl]methyl]cyclopropanamine is c1coc(CN(C[C@H]2CCCN2)C2CC2)c1.
What is the InChIKey of N-(furan-2-ylmethyl)-N-[[(2R)-pyrrolidin-2-yl]methyl]cyclopropanamine?
The InChIKey is NDMRXOWJNCVWJA-LLVKDONJSA-N. The full InChI is InChI=1S/C13H20N2O/c1-3-11(14-7-1)9-15(12-5-6-12)10-13-4-2-8-16-13/h2,4,8,11-12,14H,1,3,5-7,9-10H2/t11-/m1/s1.
What are the key properties of N-(furan-2-ylmethyl)-N-[[(2R)-pyrrolidin-2-yl]methyl]cyclopropanamine?
N-(furan-2-ylmethyl)-N-[[(2R)-pyrrolidin-2-yl]methyl]cyclopropanamine has a molecular weight of 220.32 g/mol, XLogP of 2.00, 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)-N-[[(2R)-pyrrolidin-2-yl]methyl]cyclopropanamine is sourced from PubChem (CID 102819455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).