(E)-N-ethyl-3-methyl-4-(1-methylpyrrol-3-yl)but-3-en-2-amine

C12H20N2 — CID 103093198

IUPAC(E)-N-ethyl-3-methyl-4-(1-methylpyrrol-3-yl)but-3-en-2-amine
SMILESCCNC(C)/C(C)=C/c1ccn(C)c1
InChIInChI=1S/C12H20N2/c1-5-13-11(3)10(2)8-12-6-7-14(4)9-12/h6-9,11,13H,5H2,1-4H3/b10-8+
InChIKeyLCXCPXCZZSJMOT-CSKARUKUSA-N
MW192.31 g/mol
LogP2.43
Rot. Bonds4

About (E)-N-ethyl-3-methyl-4-(1-methylpyrrol-3-yl)but-3-en-2-amine

(E)-N-ethyl-3-methyl-4-(1-methylpyrrol-3-yl)but-3-en-2-amine (PubChem CID 103093198) has the molecular formula C12H20N2 and a molecular weight of 192.31 g/mol. Its IUPAC name is (E)-N-ethyl-3-methyl-4-(1-methylpyrrol-3-yl)but-3-en-2-amine.

Molecular Properties

Compound Name(E)-N-ethyl-3-methyl-4-(1-methylpyrrol-3-yl)but-3-en-2-amine
PubChem CID103093198
Molecular FormulaC12H20N2
Molecular Weight192.31 g/mol
Exact Mass192.16
IUPAC Name(E)-N-ethyl-3-methyl-4-(1-methylpyrrol-3-yl)but-3-en-2-amine
SMILESCCNC(C)/C(C)=C/c1ccn(C)c1
InChIInChI=1S/C12H20N2/c1-5-13-11(3)10(2)8-12-6-7-14(4)9-12/h6-9,11,13H,5H2,1-4H3/b10-8+
InChIKeyLCXCPXCZZSJMOT-CSKARUKUSA-N
XLogP2.43
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.31
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (E)-N-ethyl-3-methyl-4-(1-methylpyrrol-3-yl)but-3-en-2-amine?
The IUPAC name of (E)-N-ethyl-3-methyl-4-(1-methylpyrrol-3-yl)but-3-en-2-amine (CID 103093198) is (E)-N-ethyl-3-methyl-4-(1-methylpyrrol-3-yl)but-3-en-2-amine.
What is the SMILES notation for (E)-N-ethyl-3-methyl-4-(1-methylpyrrol-3-yl)but-3-en-2-amine?
The canonical SMILES for (E)-N-ethyl-3-methyl-4-(1-methylpyrrol-3-yl)but-3-en-2-amine is CCNC(C)/C(C)=C/c1ccn(C)c1.
What is the InChIKey of (E)-N-ethyl-3-methyl-4-(1-methylpyrrol-3-yl)but-3-en-2-amine?
The InChIKey is LCXCPXCZZSJMOT-CSKARUKUSA-N. The full InChI is InChI=1S/C12H20N2/c1-5-13-11(3)10(2)8-12-6-7-14(4)9-12/h6-9,11,13H,5H2,1-4H3/b10-8+.
What are the key properties of (E)-N-ethyl-3-methyl-4-(1-methylpyrrol-3-yl)but-3-en-2-amine?
(E)-N-ethyl-3-methyl-4-(1-methylpyrrol-3-yl)but-3-en-2-amine has a molecular weight of 192.31 g/mol, XLogP of 2.43, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-ethyl-3-methyl-4-(1-methylpyrrol-3-yl)but-3-en-2-amine is sourced from PubChem (CID 103093198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).