(E)-N,3-dimethyl-4-(1,2,5-trimethylpyrrol-3-yl)but-3-en-2-amine

C13H22N2 — CID 103092916

IUPAC(E)-N,3-dimethyl-4-(1,2,5-trimethylpyrrol-3-yl)but-3-en-2-amine
SMILESCNC(C)/C(C)=C/c1cc(C)n(C)c1C
InChIInChI=1S/C13H22N2/c1-9(11(3)14-5)7-13-8-10(2)15(6)12(13)4/h7-8,11,14H,1-6H3/b9-7+
InChIKeyKUYKIBSEROILDD-VQHVLOKHSA-N
MW206.33 g/mol
LogP2.65
Rot. Bonds3

About (E)-N,3-dimethyl-4-(1,2,5-trimethylpyrrol-3-yl)but-3-en-2-amine

(E)-N,3-dimethyl-4-(1,2,5-trimethylpyrrol-3-yl)but-3-en-2-amine (PubChem CID 103092916) has the molecular formula C13H22N2 and a molecular weight of 206.33 g/mol. Its IUPAC name is (E)-N,3-dimethyl-4-(1,2,5-trimethylpyrrol-3-yl)but-3-en-2-amine.

Molecular Properties

Compound Name(E)-N,3-dimethyl-4-(1,2,5-trimethylpyrrol-3-yl)but-3-en-2-amine
PubChem CID103092916
Molecular FormulaC13H22N2
Molecular Weight206.33 g/mol
Exact Mass206.18
IUPAC Name(E)-N,3-dimethyl-4-(1,2,5-trimethylpyrrol-3-yl)but-3-en-2-amine
SMILESCNC(C)/C(C)=C/c1cc(C)n(C)c1C
InChIInChI=1S/C13H22N2/c1-9(11(3)14-5)7-13-8-10(2)15(6)12(13)4/h7-8,11,14H,1-6H3/b9-7+
InChIKeyKUYKIBSEROILDD-VQHVLOKHSA-N
XLogP2.65
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (E)-N,3-dimethyl-4-(1,2,5-trimethylpyrrol-3-yl)but-3-en-2-amine?
The IUPAC name of (E)-N,3-dimethyl-4-(1,2,5-trimethylpyrrol-3-yl)but-3-en-2-amine (CID 103092916) is (E)-N,3-dimethyl-4-(1,2,5-trimethylpyrrol-3-yl)but-3-en-2-amine.
What is the SMILES notation for (E)-N,3-dimethyl-4-(1,2,5-trimethylpyrrol-3-yl)but-3-en-2-amine?
The canonical SMILES for (E)-N,3-dimethyl-4-(1,2,5-trimethylpyrrol-3-yl)but-3-en-2-amine is CNC(C)/C(C)=C/c1cc(C)n(C)c1C.
What is the InChIKey of (E)-N,3-dimethyl-4-(1,2,5-trimethylpyrrol-3-yl)but-3-en-2-amine?
The InChIKey is KUYKIBSEROILDD-VQHVLOKHSA-N. The full InChI is InChI=1S/C13H22N2/c1-9(11(3)14-5)7-13-8-10(2)15(6)12(13)4/h7-8,11,14H,1-6H3/b9-7+.
What are the key properties of (E)-N,3-dimethyl-4-(1,2,5-trimethylpyrrol-3-yl)but-3-en-2-amine?
(E)-N,3-dimethyl-4-(1,2,5-trimethylpyrrol-3-yl)but-3-en-2-amine has a molecular weight of 206.33 g/mol, XLogP of 2.65, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N,3-dimethyl-4-(1,2,5-trimethylpyrrol-3-yl)but-3-en-2-amine is sourced from PubChem (CID 103092916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).