2,3-dimethyl-3,4-dihydro-2H-pyrrol-5-amine

C6H12N2 — CID 10261068

IUPAC2,3-dimethyl-3,4-dihydro-2H-pyrrol-5-amine
SMILESCC1CC(N)=NC1C
InChIInChI=1S/C6H12N2/c1-4-3-6(7)8-5(4)2/h4-5H,3H2,1-2H3,(H2,7,8)
InChIKeyHLFGYTAETWRDBS-UHFFFAOYSA-N
MW112.18 g/mol
LogP0.77
Rot. Bonds

About 2,3-dimethyl-3,4-dihydro-2H-pyrrol-5-amine

2,3-dimethyl-3,4-dihydro-2H-pyrrol-5-amine (PubChem CID 10261068) has the molecular formula C6H12N2 and a molecular weight of 112.18 g/mol. Its IUPAC name is 2,3-dimethyl-3,4-dihydro-2H-pyrrol-5-amine.

Molecular Properties

Compound Name2,3-dimethyl-3,4-dihydro-2H-pyrrol-5-amine
PubChem CID10261068
Molecular FormulaC6H12N2
Molecular Weight112.18 g/mol
Exact Mass112.10
IUPAC Name2,3-dimethyl-3,4-dihydro-2H-pyrrol-5-amine
SMILESCC1CC(N)=NC1C
InChIInChI=1S/C6H12N2/c1-4-3-6(7)8-5(4)2/h4-5H,3H2,1-2H3,(H2,7,8)
InChIKeyHLFGYTAETWRDBS-UHFFFAOYSA-N
XLogP0.77
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.18
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-3,4-dihydro-2H-pyrrol-5-amine?
The IUPAC name of 2,3-dimethyl-3,4-dihydro-2H-pyrrol-5-amine (CID 10261068) is 2,3-dimethyl-3,4-dihydro-2H-pyrrol-5-amine.
What is the SMILES notation for 2,3-dimethyl-3,4-dihydro-2H-pyrrol-5-amine?
The canonical SMILES for 2,3-dimethyl-3,4-dihydro-2H-pyrrol-5-amine is CC1CC(N)=NC1C.
What is the InChIKey of 2,3-dimethyl-3,4-dihydro-2H-pyrrol-5-amine?
The InChIKey is HLFGYTAETWRDBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2/c1-4-3-6(7)8-5(4)2/h4-5H,3H2,1-2H3,(H2,7,8).
What are the key properties of 2,3-dimethyl-3,4-dihydro-2H-pyrrol-5-amine?
2,3-dimethyl-3,4-dihydro-2H-pyrrol-5-amine has a molecular weight of 112.18 g/mol, XLogP of 0.77, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-3,4-dihydro-2H-pyrrol-5-amine is sourced from PubChem (CID 10261068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).