2,5-dimethyl-N-[(5-methylfuran-2-yl)methyl]pyrrol-1-amine

C12H16N2O — CID 79100351

IUPAC2,5-dimethyl-N-[(5-methylfuran-2-yl)methyl]pyrrol-1-amine
SMILESCc1ccc(CNn2c(C)ccc2C)o1
InChIInChI=1S/C12H16N2O/c1-9-4-5-10(2)14(9)13-8-12-7-6-11(3)15-12/h4-7,13H,8H2,1-3H3
InChIKeyCYPOMXGNJOIXIA-UHFFFAOYSA-N
MW204.27 g/mol
LogP2.75
Rot. Bonds3

About 2,5-dimethyl-N-[(5-methylfuran-2-yl)methyl]pyrrol-1-amine

2,5-dimethyl-N-[(5-methylfuran-2-yl)methyl]pyrrol-1-amine (PubChem CID 79100351) has the molecular formula C12H16N2O and a molecular weight of 204.27 g/mol. Its IUPAC name is 2,5-dimethyl-N-[(5-methylfuran-2-yl)methyl]pyrrol-1-amine.

Molecular Properties

Compound Name2,5-dimethyl-N-[(5-methylfuran-2-yl)methyl]pyrrol-1-amine
PubChem CID79100351
Molecular FormulaC12H16N2O
Molecular Weight204.27 g/mol
Exact Mass204.13
IUPAC Name2,5-dimethyl-N-[(5-methylfuran-2-yl)methyl]pyrrol-1-amine
SMILESCc1ccc(CNn2c(C)ccc2C)o1
InChIInChI=1S/C12H16N2O/c1-9-4-5-10(2)14(9)13-8-12-7-6-11(3)15-12/h4-7,13H,8H2,1-3H3
InChIKeyCYPOMXGNJOIXIA-UHFFFAOYSA-N
XLogP2.75
TPSA30.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(5-methylfuran-2-yl)methyl]piperidin-1-amine
CID 83007735
N-[(4,5-dibromofuran-2-yl)methyl]-2,5-dimethylpyrrol-1-amine
CID 79100599
2,5-dimethyl-N-(1,3-oxazol-5-ylmethyl)pyrrol-1-amine
CID 79101202
[(5-methylfuran-2-yl)methylamino]methanol
CID 115229060
N-[(5-methylfuran-2-yl)methyl]benzenesulfonamide
CID 64584740
2,5-dimethyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyrrol-1-amine
CID 107914715
N-(methoxymethyl)-1-(5-methylfuran-2-yl)methanamine
CID 115258606
1-(5-methylfuran-2-yl)-N-[(2-methyltetrazol-5-yl)methyl]methanamine
CID 107042362
6-N-[(5-methylfuran-2-yl)methyl]pyridine-2,6-diamine
CID 80646710
1-(5-methylfuran-2-yl)-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]methanamine
CID 115645209
N-ethyl-2,5-dimethylpyrrol-1-amine
CID 79100158
2-iodo-N-[(5-methylfuran-2-yl)methyl]aniline
CID 28978222

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-N-[(5-methylfuran-2-yl)methyl]pyrrol-1-amine?
The IUPAC name of 2,5-dimethyl-N-[(5-methylfuran-2-yl)methyl]pyrrol-1-amine (CID 79100351) is 2,5-dimethyl-N-[(5-methylfuran-2-yl)methyl]pyrrol-1-amine.
What is the SMILES notation for 2,5-dimethyl-N-[(5-methylfuran-2-yl)methyl]pyrrol-1-amine?
The canonical SMILES for 2,5-dimethyl-N-[(5-methylfuran-2-yl)methyl]pyrrol-1-amine is Cc1ccc(CNn2c(C)ccc2C)o1.
What is the InChIKey of 2,5-dimethyl-N-[(5-methylfuran-2-yl)methyl]pyrrol-1-amine?
The InChIKey is CYPOMXGNJOIXIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O/c1-9-4-5-10(2)14(9)13-8-12-7-6-11(3)15-12/h4-7,13H,8H2,1-3H3.
What are the key properties of 2,5-dimethyl-N-[(5-methylfuran-2-yl)methyl]pyrrol-1-amine?
2,5-dimethyl-N-[(5-methylfuran-2-yl)methyl]pyrrol-1-amine has a molecular weight of 204.27 g/mol, XLogP of 2.75, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-N-[(5-methylfuran-2-yl)methyl]pyrrol-1-amine is sourced from PubChem (CID 79100351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).