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

C7H14N2 — CID 19049121

IUPAC3-ethyl-2-methyl-3,4-dihydro-2H-pyrrol-5-amine
SMILESCCC1CC(N)=NC1C
InChIInChI=1S/C7H14N2/c1-3-6-4-7(8)9-5(6)2/h5-6H,3-4H2,1-2H3,(H2,8,9)
InChIKeyNMCNOZCNKVOIET-UHFFFAOYSA-N
MW126.20 g/mol
LogP1.16
Rot. Bonds1

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

3-ethyl-2-methyl-3,4-dihydro-2H-pyrrol-5-amine (PubChem CID 19049121) has the molecular formula C7H14N2 and a molecular weight of 126.20 g/mol. Its IUPAC name is 3-ethyl-2-methyl-3,4-dihydro-2H-pyrrol-5-amine.

Molecular Properties

Compound Name3-ethyl-2-methyl-3,4-dihydro-2H-pyrrol-5-amine
PubChem CID19049121
Molecular FormulaC7H14N2
Molecular Weight126.20 g/mol
Exact Mass126.12
IUPAC Name3-ethyl-2-methyl-3,4-dihydro-2H-pyrrol-5-amine
SMILESCCC1CC(N)=NC1C
InChIInChI=1S/C7H14N2/c1-3-6-4-7(8)9-5(6)2/h5-6H,3-4H2,1-2H3,(H2,8,9)
InChIKeyNMCNOZCNKVOIET-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 3-ethyl-2-methyl-3,4-dihydro-2H-pyrrol-5-amine?
The IUPAC name of 3-ethyl-2-methyl-3,4-dihydro-2H-pyrrol-5-amine (CID 19049121) is 3-ethyl-2-methyl-3,4-dihydro-2H-pyrrol-5-amine.
What is the SMILES notation for 3-ethyl-2-methyl-3,4-dihydro-2H-pyrrol-5-amine?
The canonical SMILES for 3-ethyl-2-methyl-3,4-dihydro-2H-pyrrol-5-amine is CCC1CC(N)=NC1C.
What is the InChIKey of 3-ethyl-2-methyl-3,4-dihydro-2H-pyrrol-5-amine?
The InChIKey is NMCNOZCNKVOIET-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2/c1-3-6-4-7(8)9-5(6)2/h5-6H,3-4H2,1-2H3,(H2,8,9).
What are the key properties of 3-ethyl-2-methyl-3,4-dihydro-2H-pyrrol-5-amine?
3-ethyl-2-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 3-ethyl-2-methyl-3,4-dihydro-2H-pyrrol-5-amine is sourced from PubChem (CID 19049121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).