1-(1-cyclopropylpyrrol-2-yl)-N-(furan-2-ylmethyl)methanamine

C13H16N2O — CID 46784886

IUPAC1-(1-cyclopropylpyrrol-2-yl)-N-(furan-2-ylmethyl)methanamine
SMILESc1coc(CNCc2cccn2C2CC2)c1
InChIInChI=1S/C13H16N2O/c1-3-12(15(7-1)11-5-6-11)9-14-10-13-4-2-8-16-13/h1-4,7-8,11,14H,5-6,9-10H2
InChIKeySSCDLWHWACPVBJ-UHFFFAOYSA-N
MW216.28 g/mol
LogP2.71
Rot. Bonds5

About 1-(1-cyclopropylpyrrol-2-yl)-N-(furan-2-ylmethyl)methanamine

1-(1-cyclopropylpyrrol-2-yl)-N-(furan-2-ylmethyl)methanamine (PubChem CID 46784886) has the molecular formula C13H16N2O and a molecular weight of 216.28 g/mol. Its IUPAC name is 1-(1-cyclopropylpyrrol-2-yl)-N-(furan-2-ylmethyl)methanamine.

Molecular Properties

Compound Name1-(1-cyclopropylpyrrol-2-yl)-N-(furan-2-ylmethyl)methanamine
PubChem CID46784886
Molecular FormulaC13H16N2O
Molecular Weight216.28 g/mol
Exact Mass216.13
IUPAC Name1-(1-cyclopropylpyrrol-2-yl)-N-(furan-2-ylmethyl)methanamine
SMILESc1coc(CNCc2cccn2C2CC2)c1
InChIInChI=1S/C13H16N2O/c1-3-12(15(7-1)11-5-6-11)9-14-10-13-4-2-8-16-13/h1-4,7-8,11,14H,5-6,9-10H2
InChIKeySSCDLWHWACPVBJ-UHFFFAOYSA-N
XLogP2.71
TPSA30.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(furan-2-ylmethyl)-1-[1-(4-methylphenyl)pyrrol-2-yl]methanamine
CID 50850395
1-(4-cyclopropylmorpholin-2-yl)-N-(furan-2-ylmethyl)methanamine
CID 119124707
N-(furan-2-ylmethyl)-1-piperidin-4-ylpyrrole-2-carboxamide
CID 62716089
2-(4-ethylpiperidin-1-yl)-N-(furan-2-ylmethyl)ethanamine
CID 62556363
1-[3-(furan-2-ylmethylamino)propyl]piperidin-4-ol
CID 110929404
N-(furan-2-ylmethyl)-1-(2-methylpyrazol-3-yl)methanamine
CID 19626581
N-[(3-cyclopropyl-1,2-oxazol-5-yl)methyl]-1-(furan-2-yl)methanamine
CID 146137708
3-(aziridin-1-yl)-N-(furan-2-ylmethyl)propan-1-amine
CID 22213998
1-(furan-2-yl)-N-[[(8S)-8-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]methanamine
CID 97078844
1-[2-fluoro-5-[(furan-2-ylmethylamino)methyl]phenyl]piperidin-4-ol
CID 84748130
1-(1-ethylpiperidin-2-yl)-N-(furan-2-ylmethyl)methanamine
CID 115621753
N,N'-bis(furan-2-ylmethyl)pentane-1,5-diamine
CID 170781680

Frequently Asked Questions

What is the IUPAC name of 1-(1-cyclopropylpyrrol-2-yl)-N-(furan-2-ylmethyl)methanamine?
The IUPAC name of 1-(1-cyclopropylpyrrol-2-yl)-N-(furan-2-ylmethyl)methanamine (CID 46784886) is 1-(1-cyclopropylpyrrol-2-yl)-N-(furan-2-ylmethyl)methanamine.
What is the SMILES notation for 1-(1-cyclopropylpyrrol-2-yl)-N-(furan-2-ylmethyl)methanamine?
The canonical SMILES for 1-(1-cyclopropylpyrrol-2-yl)-N-(furan-2-ylmethyl)methanamine is c1coc(CNCc2cccn2C2CC2)c1.
What is the InChIKey of 1-(1-cyclopropylpyrrol-2-yl)-N-(furan-2-ylmethyl)methanamine?
The InChIKey is SSCDLWHWACPVBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O/c1-3-12(15(7-1)11-5-6-11)9-14-10-13-4-2-8-16-13/h1-4,7-8,11,14H,5-6,9-10H2.
What are the key properties of 1-(1-cyclopropylpyrrol-2-yl)-N-(furan-2-ylmethyl)methanamine?
1-(1-cyclopropylpyrrol-2-yl)-N-(furan-2-ylmethyl)methanamine has a molecular weight of 216.28 g/mol, XLogP of 2.71, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-cyclopropylpyrrol-2-yl)-N-(furan-2-ylmethyl)methanamine is sourced from PubChem (CID 46784886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).