(E)-N,N-dimethyl-4-(3-methyl-2-methyliminoimidazolidin-1-yl)but-2-en-1-amine

C11H22N4 — CID 162358323

IUPAC(E)-N,N-dimethyl-4-(3-methyl-2-methyliminoimidazolidin-1-yl)but-2-en-1-amine
SMILESC/N=C1\N(C)CCN1C/C=C/CN(C)C
InChIInChI=1S/C11H22N4/c1-12-11-14(4)9-10-15(11)8-6-5-7-13(2)3/h5-6H,7-10H2,1-4H3/b6-5+,12-11+
InChIKeyIJVJAUHTELODJB-HDZHTHRUSA-N
MW210.32 g/mol
LogP0.34
Rot. Bonds4

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

(E)-N,N-dimethyl-4-(3-methyl-2-methyliminoimidazolidin-1-yl)but-2-en-1-amine (PubChem CID 162358323) has the molecular formula C11H22N4 and a molecular weight of 210.32 g/mol. Its IUPAC name is (E)-N,N-dimethyl-4-(3-methyl-2-methyliminoimidazolidin-1-yl)but-2-en-1-amine.

Molecular Properties

Compound Name(E)-N,N-dimethyl-4-(3-methyl-2-methyliminoimidazolidin-1-yl)but-2-en-1-amine
PubChem CID162358323
Molecular FormulaC11H22N4
Molecular Weight210.32 g/mol
Exact Mass210.18
IUPAC Name(E)-N,N-dimethyl-4-(3-methyl-2-methyliminoimidazolidin-1-yl)but-2-en-1-amine
SMILESC/N=C1\N(C)CCN1C/C=C/CN(C)C
InChIInChI=1S/C11H22N4/c1-12-11-14(4)9-10-15(11)8-6-5-7-13(2)3/h5-6H,7-10H2,1-4H3/b6-5+,12-11+
InChIKeyIJVJAUHTELODJB-HDZHTHRUSA-N
XLogP0.34
TPSA22.08 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 50.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-N,N-dimethyl-4-(3-methyl-2-methyliminoimidazolidin-1-yl)but-2-en-1-amine?
The IUPAC name of (E)-N,N-dimethyl-4-(3-methyl-2-methyliminoimidazolidin-1-yl)but-2-en-1-amine (CID 162358323) is (E)-N,N-dimethyl-4-(3-methyl-2-methyliminoimidazolidin-1-yl)but-2-en-1-amine.
What is the SMILES notation for (E)-N,N-dimethyl-4-(3-methyl-2-methyliminoimidazolidin-1-yl)but-2-en-1-amine?
The canonical SMILES for (E)-N,N-dimethyl-4-(3-methyl-2-methyliminoimidazolidin-1-yl)but-2-en-1-amine is C/N=C1\N(C)CCN1C/C=C/CN(C)C.
What is the InChIKey of (E)-N,N-dimethyl-4-(3-methyl-2-methyliminoimidazolidin-1-yl)but-2-en-1-amine?
The InChIKey is IJVJAUHTELODJB-HDZHTHRUSA-N. The full InChI is InChI=1S/C11H22N4/c1-12-11-14(4)9-10-15(11)8-6-5-7-13(2)3/h5-6H,7-10H2,1-4H3/b6-5+,12-11+.
What are the key properties of (E)-N,N-dimethyl-4-(3-methyl-2-methyliminoimidazolidin-1-yl)but-2-en-1-amine?
(E)-N,N-dimethyl-4-(3-methyl-2-methyliminoimidazolidin-1-yl)but-2-en-1-amine has a molecular weight of 210.32 g/mol, XLogP of 0.34, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N,N-dimethyl-4-(3-methyl-2-methyliminoimidazolidin-1-yl)but-2-en-1-amine is sourced from PubChem (CID 162358323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).