5-methyl-2H-pyrrol-3-amine

C5H8N2 — CID 59161450

IUPAC5-methyl-2H-pyrrol-3-amine
SMILESCC1=NCC(N)=C1
InChIInChI=1S/C5H8N2/c1-4-2-5(6)3-7-4/h2H,3,6H2,1H3
InChIKeySKQATERCXHTQFE-UHFFFAOYSA-N
MW96.13 g/mol
LogP0.30
Rot. Bonds

About 5-methyl-2H-pyrrol-3-amine

5-methyl-2H-pyrrol-3-amine (PubChem CID 59161450) has the molecular formula C5H8N2 and a molecular weight of 96.13 g/mol. Its IUPAC name is 5-methyl-2H-pyrrol-3-amine.

Molecular Properties

Compound Name5-methyl-2H-pyrrol-3-amine
PubChem CID59161450
Molecular FormulaC5H8N2
Molecular Weight96.13 g/mol
Exact Mass96.07
IUPAC Name5-methyl-2H-pyrrol-3-amine
SMILESCC1=NCC(N)=C1
InChIInChI=1S/C5H8N2/c1-4-2-5(6)3-7-4/h2H,3,6H2,1H3
InChIKeySKQATERCXHTQFE-UHFFFAOYSA-N
XLogP0.30
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50096.13
LogP ≤ 50.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-(trifluoromethyl)-2H-pyrrol-3-amine
CID 161385004
4-(2-Fluoroethylimino)pent-2-en-2-amine
CID 163611570
(Z)-1-(3,4-dihydro-2H-pyrrol-5-yl)prop-1-en-2-amine
CID 11194331
5-tert-butyl-2H-pyrrol-3-amine
CID 58182662
1-(3,4-dihydro-2H-pyrrol-5-yl)prop-1-en-2-amine
CID 85431210
(Z)-4-methyliminopent-2-en-2-amine
CID 87688896
(Z)-4-[(Z)-prop-1-enyl]iminopent-2-en-2-amine
CID 88874705
(Z)-2-iminopent-3-ene-1,4-diamine
CID 89129435
(Z)-4-ethenyliminopent-2-en-2-amine
CID 89224049
(Z)-4-methyliminopent-2-ene-1,2-diamine
CID 89683718
ethane;5-methyl-2H-pyrrol-3-amine
CID 91228412
5-Ethylpyrrol-3-imine
CID 118109937

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2H-pyrrol-3-amine?
The IUPAC name of 5-methyl-2H-pyrrol-3-amine (CID 59161450) is 5-methyl-2H-pyrrol-3-amine.
What is the SMILES notation for 5-methyl-2H-pyrrol-3-amine?
The canonical SMILES for 5-methyl-2H-pyrrol-3-amine is CC1=NCC(N)=C1.
What is the InChIKey of 5-methyl-2H-pyrrol-3-amine?
The InChIKey is SKQATERCXHTQFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N2/c1-4-2-5(6)3-7-4/h2H,3,6H2,1H3.
What are the key properties of 5-methyl-2H-pyrrol-3-amine?
5-methyl-2H-pyrrol-3-amine has a molecular weight of 96.13 g/mol, XLogP of 0.30, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2H-pyrrol-3-amine is sourced from PubChem (CID 59161450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).