N-[(5-methylfuran-2-yl)methyl]-1-(1-propylpyrrol-3-yl)methanamine

C14H20N2O — CID 66414995

IUPACN-[(5-methylfuran-2-yl)methyl]-1-(1-propylpyrrol-3-yl)methanamine
SMILESCCCn1ccc(CNCc2ccc(C)o2)c1
InChIInChI=1S/C14H20N2O/c1-3-7-16-8-6-13(11-16)9-15-10-14-5-4-12(2)17-14/h4-6,8,11,15H,3,7,9-10H2,1-2H3
InChIKeyGMFDZPQRGLIZNP-UHFFFAOYSA-N
MW232.33 g/mol
LogP3.09
Rot. Bonds6

About N-[(5-methylfuran-2-yl)methyl]-1-(1-propylpyrrol-3-yl)methanamine

N-[(5-methylfuran-2-yl)methyl]-1-(1-propylpyrrol-3-yl)methanamine (PubChem CID 66414995) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is N-[(5-methylfuran-2-yl)methyl]-1-(1-propylpyrrol-3-yl)methanamine.

Molecular Properties

Compound NameN-[(5-methylfuran-2-yl)methyl]-1-(1-propylpyrrol-3-yl)methanamine
PubChem CID66414995
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC NameN-[(5-methylfuran-2-yl)methyl]-1-(1-propylpyrrol-3-yl)methanamine
SMILESCCCn1ccc(CNCc2ccc(C)o2)c1
InChIInChI=1S/C14H20N2O/c1-3-7-16-8-6-13(11-16)9-15-10-14-5-4-12(2)17-14/h4-6,8,11,15H,3,7,9-10H2,1-2H3
InChIKeyGMFDZPQRGLIZNP-UHFFFAOYSA-N
XLogP3.09
TPSA30.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-methyl-1,2-oxazol-5-yl)methyl]-1-(1-propylpyrrol-3-yl)methanamine
CID 66415770
1-(4-bromophenyl)-N-[(1-propylpyrrol-3-yl)methyl]methanamine
CID 66399030
N-[(1-methyl-1,2,4-triazol-3-yl)methyl]-1-(1-propylpyrrol-3-yl)methanamine
CID 103527603
2-methyl-N-[(1-propylpyrrol-3-yl)methyl]butan-1-amine
CID 66416750
1-(oxan-4-yl)-N-[(1-propylpyrrol-3-yl)methyl]methanamine
CID 66415974
1-(1-propylpyrrol-3-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]methanamine
CID 79236414
3-[(1-propylpyrrol-3-yl)methylamino]propanenitrile
CID 66399043
1-[(1-propylpyrrol-3-yl)methylamino]propan-2-ol
CID 66398623
1-cyclohexyl-N-[(1-propylpyrrol-3-yl)methyl]methanamine
CID 66397562
1-(4-ethylcyclohexyl)-N-[(1-propylpyrrol-3-yl)methyl]methanamine
CID 66414583
N-[(1-methylcyclopentyl)methyl]-1-(1-propylpyrrol-3-yl)methanamine
CID 66416369
N-[(3,5-dimethylphenyl)methyl]-1-(5-methylfuran-2-yl)methanamine
CID 55081933

Frequently Asked Questions

What is the IUPAC name of N-[(5-methylfuran-2-yl)methyl]-1-(1-propylpyrrol-3-yl)methanamine?
The IUPAC name of N-[(5-methylfuran-2-yl)methyl]-1-(1-propylpyrrol-3-yl)methanamine (CID 66414995) is N-[(5-methylfuran-2-yl)methyl]-1-(1-propylpyrrol-3-yl)methanamine.
What is the SMILES notation for N-[(5-methylfuran-2-yl)methyl]-1-(1-propylpyrrol-3-yl)methanamine?
The canonical SMILES for N-[(5-methylfuran-2-yl)methyl]-1-(1-propylpyrrol-3-yl)methanamine is CCCn1ccc(CNCc2ccc(C)o2)c1.
What is the InChIKey of N-[(5-methylfuran-2-yl)methyl]-1-(1-propylpyrrol-3-yl)methanamine?
The InChIKey is GMFDZPQRGLIZNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O/c1-3-7-16-8-6-13(11-16)9-15-10-14-5-4-12(2)17-14/h4-6,8,11,15H,3,7,9-10H2,1-2H3.
What are the key properties of N-[(5-methylfuran-2-yl)methyl]-1-(1-propylpyrrol-3-yl)methanamine?
N-[(5-methylfuran-2-yl)methyl]-1-(1-propylpyrrol-3-yl)methanamine has a molecular weight of 232.33 g/mol, XLogP of 3.09, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methylfuran-2-yl)methyl]-1-(1-propylpyrrol-3-yl)methanamine is sourced from PubChem (CID 66414995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).