1-(1,4-dimethyl-2,5-dihydropyrrol-3-yl)-N,N-dimethylethanamine

C10H20N2 — CID 54029903

IUPAC1-(1,4-dimethyl-2,5-dihydropyrrol-3-yl)-N,N-dimethylethanamine
SMILESCC1=C(C(C)N(C)C)CN(C)C1
InChIInChI=1S/C10H20N2/c1-8-6-12(5)7-10(8)9(2)11(3)4/h9H,6-7H2,1-5H3
InChIKeyLEVNVJVXHXRORG-UHFFFAOYSA-N
MW168.28 g/mol
LogP1.20
Rot. Bonds2

About 1-(1,4-dimethyl-2,5-dihydropyrrol-3-yl)-N,N-dimethylethanamine

1-(1,4-dimethyl-2,5-dihydropyrrol-3-yl)-N,N-dimethylethanamine (PubChem CID 54029903) has the molecular formula C10H20N2 and a molecular weight of 168.28 g/mol. Its IUPAC name is 1-(1,4-dimethyl-2,5-dihydropyrrol-3-yl)-N,N-dimethylethanamine.

Molecular Properties

Compound Name1-(1,4-dimethyl-2,5-dihydropyrrol-3-yl)-N,N-dimethylethanamine
PubChem CID54029903
Molecular FormulaC10H20N2
Molecular Weight168.28 g/mol
Exact Mass168.16
IUPAC Name1-(1,4-dimethyl-2,5-dihydropyrrol-3-yl)-N,N-dimethylethanamine
SMILESCC1=C(C(C)N(C)C)CN(C)C1
InChIInChI=1S/C10H20N2/c1-8-6-12(5)7-10(8)9(2)11(3)4/h9H,6-7H2,1-5H3
InChIKeyLEVNVJVXHXRORG-UHFFFAOYSA-N
XLogP1.20
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 51.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(1,4-dimethyl-2,5-dihydropyrrol-3-yl)-N,N-dimethylethanamine?
The IUPAC name of 1-(1,4-dimethyl-2,5-dihydropyrrol-3-yl)-N,N-dimethylethanamine (CID 54029903) is 1-(1,4-dimethyl-2,5-dihydropyrrol-3-yl)-N,N-dimethylethanamine.
What is the SMILES notation for 1-(1,4-dimethyl-2,5-dihydropyrrol-3-yl)-N,N-dimethylethanamine?
The canonical SMILES for 1-(1,4-dimethyl-2,5-dihydropyrrol-3-yl)-N,N-dimethylethanamine is CC1=C(C(C)N(C)C)CN(C)C1.
What is the InChIKey of 1-(1,4-dimethyl-2,5-dihydropyrrol-3-yl)-N,N-dimethylethanamine?
The InChIKey is LEVNVJVXHXRORG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2/c1-8-6-12(5)7-10(8)9(2)11(3)4/h9H,6-7H2,1-5H3.
What are the key properties of 1-(1,4-dimethyl-2,5-dihydropyrrol-3-yl)-N,N-dimethylethanamine?
1-(1,4-dimethyl-2,5-dihydropyrrol-3-yl)-N,N-dimethylethanamine has a molecular weight of 168.28 g/mol, XLogP of 1.20, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,4-dimethyl-2,5-dihydropyrrol-3-yl)-N,N-dimethylethanamine is sourced from PubChem (CID 54029903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).