(E)-N-methyl-3-(4-methyl-2,5-dihydro-1H-pyrrol-3-yl)pent-2-en-2-amine

C11H20N2 — CID 167297837

IUPAC(E)-N-methyl-3-(4-methyl-2,5-dihydro-1H-pyrrol-3-yl)pent-2-en-2-amine
SMILESCC/C(C1=C(C)CNC1)=C(/C)NC
InChIInChI=1S/C11H20N2/c1-5-10(9(3)12-4)11-7-13-6-8(11)2/h12-13H,5-7H2,1-4H3/b10-9+
InChIKeyTUVAKXAJNPCTFH-MDZDMXLPSA-N
MW180.29 g/mol
LogP1.81
Rot. Bonds3

About (E)-N-methyl-3-(4-methyl-2,5-dihydro-1H-pyrrol-3-yl)pent-2-en-2-amine

(E)-N-methyl-3-(4-methyl-2,5-dihydro-1H-pyrrol-3-yl)pent-2-en-2-amine (PubChem CID 167297837) has the molecular formula C11H20N2 and a molecular weight of 180.29 g/mol. Its IUPAC name is (E)-N-methyl-3-(4-methyl-2,5-dihydro-1H-pyrrol-3-yl)pent-2-en-2-amine.

Molecular Properties

Compound Name(E)-N-methyl-3-(4-methyl-2,5-dihydro-1H-pyrrol-3-yl)pent-2-en-2-amine
PubChem CID167297837
Molecular FormulaC11H20N2
Molecular Weight180.29 g/mol
Exact Mass180.16
IUPAC Name(E)-N-methyl-3-(4-methyl-2,5-dihydro-1H-pyrrol-3-yl)pent-2-en-2-amine
SMILESCC/C(C1=C(C)CNC1)=C(/C)NC
InChIInChI=1S/C11H20N2/c1-5-10(9(3)12-4)11-7-13-6-8(11)2/h12-13H,5-7H2,1-4H3/b10-9+
InChIKeyTUVAKXAJNPCTFH-MDZDMXLPSA-N
XLogP1.81
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.29
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (E)-N-methyl-3-(4-methyl-2,5-dihydro-1H-pyrrol-3-yl)pent-2-en-2-amine?
The IUPAC name of (E)-N-methyl-3-(4-methyl-2,5-dihydro-1H-pyrrol-3-yl)pent-2-en-2-amine (CID 167297837) is (E)-N-methyl-3-(4-methyl-2,5-dihydro-1H-pyrrol-3-yl)pent-2-en-2-amine.
What is the SMILES notation for (E)-N-methyl-3-(4-methyl-2,5-dihydro-1H-pyrrol-3-yl)pent-2-en-2-amine?
The canonical SMILES for (E)-N-methyl-3-(4-methyl-2,5-dihydro-1H-pyrrol-3-yl)pent-2-en-2-amine is CC/C(C1=C(C)CNC1)=C(/C)NC.
What is the InChIKey of (E)-N-methyl-3-(4-methyl-2,5-dihydro-1H-pyrrol-3-yl)pent-2-en-2-amine?
The InChIKey is TUVAKXAJNPCTFH-MDZDMXLPSA-N. The full InChI is InChI=1S/C11H20N2/c1-5-10(9(3)12-4)11-7-13-6-8(11)2/h12-13H,5-7H2,1-4H3/b10-9+.
What are the key properties of (E)-N-methyl-3-(4-methyl-2,5-dihydro-1H-pyrrol-3-yl)pent-2-en-2-amine?
(E)-N-methyl-3-(4-methyl-2,5-dihydro-1H-pyrrol-3-yl)pent-2-en-2-amine has a molecular weight of 180.29 g/mol, XLogP of 1.81, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-methyl-3-(4-methyl-2,5-dihydro-1H-pyrrol-3-yl)pent-2-en-2-amine is sourced from PubChem (CID 167297837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).