ethane;N-methyl-4-[(2Z)-2-prop-1-en-2-ylpenta-2,4-dienyl]aniline

C17H25N — CID 177153138

IUPACethane;N-methyl-4-[(2Z)-2-prop-1-en-2-ylpenta-2,4-dienyl]aniline
SMILESC=C/C=C(/Cc1ccc(NC)cc1)C(=C)C.CC
InChIInChI=1S/C15H19N.C2H6/c1-5-6-14(12(2)3)11-13-7-9-15(16-4)10-8-13;1-2/h5-10,16H,1-2,11H2,3-4H3;1-2H3/b14-6-;
InChIKeyNMTRAQNTAWXIEV-WQMRFYCQSA-N
MW243.39 g/mol
LogP4.99
Rot. Bonds5

About ethane;N-methyl-4-[(2Z)-2-prop-1-en-2-ylpenta-2,4-dienyl]aniline

ethane;N-methyl-4-[(2Z)-2-prop-1-en-2-ylpenta-2,4-dienyl]aniline (PubChem CID 177153138) has the molecular formula C17H25N and a molecular weight of 243.39 g/mol. Its IUPAC name is ethane;N-methyl-4-[(2Z)-2-prop-1-en-2-ylpenta-2,4-dienyl]aniline.

Molecular Properties

Compound Nameethane;N-methyl-4-[(2Z)-2-prop-1-en-2-ylpenta-2,4-dienyl]aniline
PubChem CID177153138
Molecular FormulaC17H25N
Molecular Weight243.39 g/mol
Exact Mass243.20
IUPAC Nameethane;N-methyl-4-[(2Z)-2-prop-1-en-2-ylpenta-2,4-dienyl]aniline
SMILESC=C/C=C(/Cc1ccc(NC)cc1)C(=C)C.CC
InChIInChI=1S/C15H19N.C2H6/c1-5-6-14(12(2)3)11-13-7-9-15(16-4)10-8-13;1-2/h5-10,16H,1-2,11H2,3-4H3;1-2H3/b14-6-;
InChIKeyNMTRAQNTAWXIEV-WQMRFYCQSA-N
XLogP4.99
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.39
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethane;N-methyl-4-[(2Z)-2-prop-1-en-2-ylpenta-2,4-dienyl]aniline?
The IUPAC name of ethane;N-methyl-4-[(2Z)-2-prop-1-en-2-ylpenta-2,4-dienyl]aniline (CID 177153138) is ethane;N-methyl-4-[(2Z)-2-prop-1-en-2-ylpenta-2,4-dienyl]aniline.
What is the SMILES notation for ethane;N-methyl-4-[(2Z)-2-prop-1-en-2-ylpenta-2,4-dienyl]aniline?
The canonical SMILES for ethane;N-methyl-4-[(2Z)-2-prop-1-en-2-ylpenta-2,4-dienyl]aniline is C=C/C=C(/Cc1ccc(NC)cc1)C(=C)C.CC.
What is the InChIKey of ethane;N-methyl-4-[(2Z)-2-prop-1-en-2-ylpenta-2,4-dienyl]aniline?
The InChIKey is NMTRAQNTAWXIEV-WQMRFYCQSA-N. The full InChI is InChI=1S/C15H19N.C2H6/c1-5-6-14(12(2)3)11-13-7-9-15(16-4)10-8-13;1-2/h5-10,16H,1-2,11H2,3-4H3;1-2H3/b14-6-;.
What are the key properties of ethane;N-methyl-4-[(2Z)-2-prop-1-en-2-ylpenta-2,4-dienyl]aniline?
ethane;N-methyl-4-[(2Z)-2-prop-1-en-2-ylpenta-2,4-dienyl]aniline has a molecular weight of 243.39 g/mol, XLogP of 4.99, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-methyl-4-[(2Z)-2-prop-1-en-2-ylpenta-2,4-dienyl]aniline is sourced from PubChem (CID 177153138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).