2-N-ethenyl-5-(1-ethoxyethenyl)-1-N,2-N-dimethyl-1-N-propan-2-ylbenzene-1,2,4-triamine

C17H27N3O — CID 156548373

IUPAC2-N-ethenyl-5-(1-ethoxyethenyl)-1-N,2-N-dimethyl-1-N-propan-2-ylbenzene-1,2,4-triamine
SMILESC=CN(C)c1cc(N)c(C(=C)OCC)cc1N(C)C(C)C
InChIInChI=1S/C17H27N3O/c1-8-19(6)16-11-15(18)14(13(5)21-9-2)10-17(16)20(7)12(3)4/h8,10-12H,1,5,9,18H2,2-4,6-7H3
InChIKeyLPCVRKHTFOZJIP-UHFFFAOYSA-N
MW289.42 g/mol
LogP3.70
Rot. Bonds7

About 2-N-ethenyl-5-(1-ethoxyethenyl)-1-N,2-N-dimethyl-1-N-propan-2-ylbenzene-1,2,4-triamine

2-N-ethenyl-5-(1-ethoxyethenyl)-1-N,2-N-dimethyl-1-N-propan-2-ylbenzene-1,2,4-triamine (PubChem CID 156548373) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is 2-N-ethenyl-5-(1-ethoxyethenyl)-1-N,2-N-dimethyl-1-N-propan-2-ylbenzene-1,2,4-triamine.

Molecular Properties

Compound Name2-N-ethenyl-5-(1-ethoxyethenyl)-1-N,2-N-dimethyl-1-N-propan-2-ylbenzene-1,2,4-triamine
PubChem CID156548373
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC Name2-N-ethenyl-5-(1-ethoxyethenyl)-1-N,2-N-dimethyl-1-N-propan-2-ylbenzene-1,2,4-triamine
SMILESC=CN(C)c1cc(N)c(C(=C)OCC)cc1N(C)C(C)C
InChIInChI=1S/C17H27N3O/c1-8-19(6)16-11-15(18)14(13(5)21-9-2)10-17(16)20(7)12(3)4/h8,10-12H,1,5,9,18H2,2-4,6-7H3
InChIKeyLPCVRKHTFOZJIP-UHFFFAOYSA-N
XLogP3.70
TPSA41.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-N-ethenyl-5-(1-ethoxyethenyl)-1-N,2-N-dimethyl-1-N-propan-2-ylbenzene-1,2,4-triamine?
The IUPAC name of 2-N-ethenyl-5-(1-ethoxyethenyl)-1-N,2-N-dimethyl-1-N-propan-2-ylbenzene-1,2,4-triamine (CID 156548373) is 2-N-ethenyl-5-(1-ethoxyethenyl)-1-N,2-N-dimethyl-1-N-propan-2-ylbenzene-1,2,4-triamine.
What is the SMILES notation for 2-N-ethenyl-5-(1-ethoxyethenyl)-1-N,2-N-dimethyl-1-N-propan-2-ylbenzene-1,2,4-triamine?
The canonical SMILES for 2-N-ethenyl-5-(1-ethoxyethenyl)-1-N,2-N-dimethyl-1-N-propan-2-ylbenzene-1,2,4-triamine is C=CN(C)c1cc(N)c(C(=C)OCC)cc1N(C)C(C)C.
What is the InChIKey of 2-N-ethenyl-5-(1-ethoxyethenyl)-1-N,2-N-dimethyl-1-N-propan-2-ylbenzene-1,2,4-triamine?
The InChIKey is LPCVRKHTFOZJIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-8-19(6)16-11-15(18)14(13(5)21-9-2)10-17(16)20(7)12(3)4/h8,10-12H,1,5,9,18H2,2-4,6-7H3.
What are the key properties of 2-N-ethenyl-5-(1-ethoxyethenyl)-1-N,2-N-dimethyl-1-N-propan-2-ylbenzene-1,2,4-triamine?
2-N-ethenyl-5-(1-ethoxyethenyl)-1-N,2-N-dimethyl-1-N-propan-2-ylbenzene-1,2,4-triamine has a molecular weight of 289.42 g/mol, XLogP of 3.70, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-ethenyl-5-(1-ethoxyethenyl)-1-N,2-N-dimethyl-1-N-propan-2-ylbenzene-1,2,4-triamine is sourced from PubChem (CID 156548373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).