N-(furan-3-ylmethyl)-1-(1H-pyrrol-3-yl)methanamine

C10H12N2O — CID 115686118

IUPACN-(furan-3-ylmethyl)-1-(1H-pyrrol-3-yl)methanamine
SMILESc1cc(CNCc2ccoc2)c[nH]1
InChIInChI=1S/C10H12N2O/c1-3-11-5-9(1)6-12-7-10-2-4-13-8-10/h1-5,8,11-12H,6-7H2
InChIKeyNSKMHRHQOFFVOQ-UHFFFAOYSA-N
MW176.22 g/mol
LogP1.90
Rot. Bonds4

About N-(furan-3-ylmethyl)-1-(1H-pyrrol-3-yl)methanamine

N-(furan-3-ylmethyl)-1-(1H-pyrrol-3-yl)methanamine (PubChem CID 115686118) has the molecular formula C10H12N2O and a molecular weight of 176.22 g/mol. Its IUPAC name is N-(furan-3-ylmethyl)-1-(1H-pyrrol-3-yl)methanamine.

Molecular Properties

Compound NameN-(furan-3-ylmethyl)-1-(1H-pyrrol-3-yl)methanamine
PubChem CID115686118
Molecular FormulaC10H12N2O
Molecular Weight176.22 g/mol
Exact Mass176.09
IUPAC NameN-(furan-3-ylmethyl)-1-(1H-pyrrol-3-yl)methanamine
SMILESc1cc(CNCc2ccoc2)c[nH]1
InChIInChI=1S/C10H12N2O/c1-3-11-5-9(1)6-12-7-10-2-4-13-8-10/h1-5,8,11-12H,6-7H2
InChIKeyNSKMHRHQOFFVOQ-UHFFFAOYSA-N
XLogP1.90
TPSA40.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.22
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(furan-3-yl)-N-(furan-3-ylmethyl)methanamine
CID 115607346
4-[(1H-pyrrol-3-ylmethylamino)methyl]aniline
CID 115212481
N-(furan-3-ylmethyl)-1-(4-methylphenyl)methanamine
CID 60980930
4-[(1H-pyrrol-3-ylmethylamino)methyl]phenol
CID 115686154
1-(1H-pyrrol-3-yl)-N-(thiophen-2-ylmethyl)methanamine
CID 66407617
N-(furan-3-ylmethyl)-1-(1H-indol-6-yl)methanamine
CID 102912129
2-(1H-pyrrol-3-ylmethylamino)ethanethiol
CID 115223957
1-(furan-3-yl)-N-(1H-pyrazol-5-ylmethyl)methanamine
CID 63001149
1-(furan-3-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)methanamine
CID 63204693
2,2-difluoro-N-(1H-pyrrol-3-ylmethyl)ethanamine
CID 115405774
(2S)-3-(furan-3-ylmethylamino)propane-1,2-diol
CID 104874092
2-pyrrolidin-1-yl-N-(1H-pyrrol-3-ylmethyl)ethanamine
CID 66409144

Frequently Asked Questions

What is the IUPAC name of N-(furan-3-ylmethyl)-1-(1H-pyrrol-3-yl)methanamine?
The IUPAC name of N-(furan-3-ylmethyl)-1-(1H-pyrrol-3-yl)methanamine (CID 115686118) is N-(furan-3-ylmethyl)-1-(1H-pyrrol-3-yl)methanamine.
What is the SMILES notation for N-(furan-3-ylmethyl)-1-(1H-pyrrol-3-yl)methanamine?
The canonical SMILES for N-(furan-3-ylmethyl)-1-(1H-pyrrol-3-yl)methanamine is c1cc(CNCc2ccoc2)c[nH]1.
What is the InChIKey of N-(furan-3-ylmethyl)-1-(1H-pyrrol-3-yl)methanamine?
The InChIKey is NSKMHRHQOFFVOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O/c1-3-11-5-9(1)6-12-7-10-2-4-13-8-10/h1-5,8,11-12H,6-7H2.
What are the key properties of N-(furan-3-ylmethyl)-1-(1H-pyrrol-3-yl)methanamine?
N-(furan-3-ylmethyl)-1-(1H-pyrrol-3-yl)methanamine has a molecular weight of 176.22 g/mol, XLogP of 1.90, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-3-ylmethyl)-1-(1H-pyrrol-3-yl)methanamine is sourced from PubChem (CID 115686118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).