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

C7H14N2 — CID 91228412

IUPACethane;5-methyl-2H-pyrrol-3-amine
SMILESCC.CC1=NCC(N)=C1
InChIInChI=1S/C5H8N2.C2H6/c1-4-2-5(6)3-7-4;1-2/h2H,3,6H2,1H3;1-2H3
InChIKeyKVHMUMCZFMOPMB-UHFFFAOYSA-N
MW126.20 g/mol
LogP1.33
Rot. Bonds

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

ethane;5-methyl-2H-pyrrol-3-amine (PubChem CID 91228412) has the molecular formula C7H14N2 and a molecular weight of 126.20 g/mol. Its IUPAC name is ethane;5-methyl-2H-pyrrol-3-amine.

Molecular Properties

Compound Nameethane;5-methyl-2H-pyrrol-3-amine
PubChem CID91228412
Molecular FormulaC7H14N2
Molecular Weight126.20 g/mol
Exact Mass126.12
IUPAC Nameethane;5-methyl-2H-pyrrol-3-amine
SMILESCC.CC1=NCC(N)=C1
InChIInChI=1S/C5H8N2.C2H6/c1-4-2-5(6)3-7-4;1-2/h2H,3,6H2,1H3;1-2H3
InChIKeyKVHMUMCZFMOPMB-UHFFFAOYSA-N
XLogP1.33
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.20
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethane;5-methyl-2H-pyrrol-3-amine?
The IUPAC name of ethane;5-methyl-2H-pyrrol-3-amine (CID 91228412) is ethane;5-methyl-2H-pyrrol-3-amine.
What is the SMILES notation for ethane;5-methyl-2H-pyrrol-3-amine?
The canonical SMILES for ethane;5-methyl-2H-pyrrol-3-amine is CC.CC1=NCC(N)=C1.
What is the InChIKey of ethane;5-methyl-2H-pyrrol-3-amine?
The InChIKey is KVHMUMCZFMOPMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N2.C2H6/c1-4-2-5(6)3-7-4;1-2/h2H,3,6H2,1H3;1-2H3.
What are the key properties of ethane;5-methyl-2H-pyrrol-3-amine?
ethane;5-methyl-2H-pyrrol-3-amine has a molecular weight of 126.20 g/mol, XLogP of 1.33, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;5-methyl-2H-pyrrol-3-amine is sourced from PubChem (CID 91228412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).