2-ethyl-3-methyl-3,4-dihydro-2H-pyrrol-5-amine

C7H14N2 — CID 10396852

IUPAC2-ethyl-3-methyl-3,4-dihydro-2H-pyrrol-5-amine
SMILESCCC1N=C(N)CC1C
InChIInChI=1S/C7H14N2/c1-3-6-5(2)4-7(8)9-6/h5-6H,3-4H2,1-2H3,(H2,8,9)
InChIKeyAPKCAWUHKKJFRX-UHFFFAOYSA-N
MW126.20 g/mol
LogP1.16
Rot. Bonds1

About 2-ethyl-3-methyl-3,4-dihydro-2H-pyrrol-5-amine

2-ethyl-3-methyl-3,4-dihydro-2H-pyrrol-5-amine (PubChem CID 10396852) has the molecular formula C7H14N2 and a molecular weight of 126.20 g/mol. Its IUPAC name is 2-ethyl-3-methyl-3,4-dihydro-2H-pyrrol-5-amine.

Molecular Properties

Compound Name2-ethyl-3-methyl-3,4-dihydro-2H-pyrrol-5-amine
PubChem CID10396852
Molecular FormulaC7H14N2
Molecular Weight126.20 g/mol
Exact Mass126.12
IUPAC Name2-ethyl-3-methyl-3,4-dihydro-2H-pyrrol-5-amine
SMILESCCC1N=C(N)CC1C
InChIInChI=1S/C7H14N2/c1-3-6-5(2)4-7(8)9-6/h5-6H,3-4H2,1-2H3,(H2,8,9)
InChIKeyAPKCAWUHKKJFRX-UHFFFAOYSA-N
XLogP1.16
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.20
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-3-methyl-3,4-dihydro-2H-pyrrol-5-amine?
The IUPAC name of 2-ethyl-3-methyl-3,4-dihydro-2H-pyrrol-5-amine (CID 10396852) is 2-ethyl-3-methyl-3,4-dihydro-2H-pyrrol-5-amine.
What is the SMILES notation for 2-ethyl-3-methyl-3,4-dihydro-2H-pyrrol-5-amine?
The canonical SMILES for 2-ethyl-3-methyl-3,4-dihydro-2H-pyrrol-5-amine is CCC1N=C(N)CC1C.
What is the InChIKey of 2-ethyl-3-methyl-3,4-dihydro-2H-pyrrol-5-amine?
The InChIKey is APKCAWUHKKJFRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2/c1-3-6-5(2)4-7(8)9-6/h5-6H,3-4H2,1-2H3,(H2,8,9).
What are the key properties of 2-ethyl-3-methyl-3,4-dihydro-2H-pyrrol-5-amine?
2-ethyl-3-methyl-3,4-dihydro-2H-pyrrol-5-amine has a molecular weight of 126.20 g/mol, XLogP of 1.16, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-3-methyl-3,4-dihydro-2H-pyrrol-5-amine is sourced from PubChem (CID 10396852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).