N-methyl-1-(4-methyl-2H-pyrrol-5-yl)but-1-en-2-amine

C10H16N2 — CID 174068168

IUPACN-methyl-1-(4-methyl-2H-pyrrol-5-yl)but-1-en-2-amine
SMILESCCC(=CC1=NCC=C1C)NC
InChIInChI=1S/C10H16N2/c1-4-9(11-3)7-10-8(2)5-6-12-10/h5,7,11H,4,6H2,1-3H3
InChIKeyOAIPUKKQKOSAIH-UHFFFAOYSA-N
MW164.25 g/mol
LogP1.90
Rot. Bonds3

About N-methyl-1-(4-methyl-2H-pyrrol-5-yl)but-1-en-2-amine

N-methyl-1-(4-methyl-2H-pyrrol-5-yl)but-1-en-2-amine (PubChem CID 174068168) has the molecular formula C10H16N2 and a molecular weight of 164.25 g/mol. Its IUPAC name is N-methyl-1-(4-methyl-2H-pyrrol-5-yl)but-1-en-2-amine.

Molecular Properties

Compound NameN-methyl-1-(4-methyl-2H-pyrrol-5-yl)but-1-en-2-amine
PubChem CID174068168
Molecular FormulaC10H16N2
Molecular Weight164.25 g/mol
Exact Mass164.13
IUPAC NameN-methyl-1-(4-methyl-2H-pyrrol-5-yl)but-1-en-2-amine
SMILESCCC(=CC1=NCC=C1C)NC
InChIInChI=1S/C10H16N2/c1-4-9(11-3)7-10-8(2)5-6-12-10/h5,7,11H,4,6H2,1-3H3
InChIKeyOAIPUKKQKOSAIH-UHFFFAOYSA-N
XLogP1.90
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.25
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(4-methyl-2H-pyrrol-5-yl)but-1-en-2-amine?
The IUPAC name of N-methyl-1-(4-methyl-2H-pyrrol-5-yl)but-1-en-2-amine (CID 174068168) is N-methyl-1-(4-methyl-2H-pyrrol-5-yl)but-1-en-2-amine.
What is the SMILES notation for N-methyl-1-(4-methyl-2H-pyrrol-5-yl)but-1-en-2-amine?
The canonical SMILES for N-methyl-1-(4-methyl-2H-pyrrol-5-yl)but-1-en-2-amine is CCC(=CC1=NCC=C1C)NC.
What is the InChIKey of N-methyl-1-(4-methyl-2H-pyrrol-5-yl)but-1-en-2-amine?
The InChIKey is OAIPUKKQKOSAIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2/c1-4-9(11-3)7-10-8(2)5-6-12-10/h5,7,11H,4,6H2,1-3H3.
What are the key properties of N-methyl-1-(4-methyl-2H-pyrrol-5-yl)but-1-en-2-amine?
N-methyl-1-(4-methyl-2H-pyrrol-5-yl)but-1-en-2-amine has a molecular weight of 164.25 g/mol, XLogP of 1.90, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(4-methyl-2H-pyrrol-5-yl)but-1-en-2-amine is sourced from PubChem (CID 174068168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).