(2E)-2-[1-[2-(dimethylamino)ethyl-methylamino]ethenyl]-4-methylpenta-2,4-dien-1-ol;ethane

C15H30N2O — CID 144607384

IUPAC(2E)-2-[1-[2-(dimethylamino)ethyl-methylamino]ethenyl]-4-methylpenta-2,4-dien-1-ol;ethane
SMILESC=C(C)/C=C(/CO)C(=C)N(C)CCN(C)C.CC
InChIInChI=1S/C13H24N2O.C2H6/c1-11(2)9-13(10-16)12(3)15(6)8-7-14(4)5;1-2/h9,16H,1,3,7-8,10H2,2,4-6H3;1-2H3/b13-9-;
InChIKeySEWKABAAIXBZFS-CHHCPSLASA-N
MW254.42 g/mol
LogP2.51
Rot. Bonds7

About (2E)-2-[1-[2-(dimethylamino)ethyl-methylamino]ethenyl]-4-methylpenta-2,4-dien-1-ol;ethane

(2E)-2-[1-[2-(dimethylamino)ethyl-methylamino]ethenyl]-4-methylpenta-2,4-dien-1-ol;ethane (PubChem CID 144607384) has the molecular formula C15H30N2O and a molecular weight of 254.42 g/mol. Its IUPAC name is (2E)-2-[1-[2-(dimethylamino)ethyl-methylamino]ethenyl]-4-methylpenta-2,4-dien-1-ol;ethane.

Molecular Properties

Compound Name(2E)-2-[1-[2-(dimethylamino)ethyl-methylamino]ethenyl]-4-methylpenta-2,4-dien-1-ol;ethane
PubChem CID144607384
Molecular FormulaC15H30N2O
Molecular Weight254.42 g/mol
Exact Mass254.24
IUPAC Name(2E)-2-[1-[2-(dimethylamino)ethyl-methylamino]ethenyl]-4-methylpenta-2,4-dien-1-ol;ethane
SMILESC=C(C)/C=C(/CO)C(=C)N(C)CCN(C)C.CC
InChIInChI=1S/C13H24N2O.C2H6/c1-11(2)9-13(10-16)12(3)15(6)8-7-14(4)5;1-2/h9,16H,1,3,7-8,10H2,2,4-6H3;1-2H3/b13-9-;
InChIKeySEWKABAAIXBZFS-CHHCPSLASA-N
XLogP2.51
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.42
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2E)-2-[1-[2-(dimethylamino)ethyl-methylamino]ethenyl]-4-methylpenta-2,4-dien-1-ol;ethane?
The IUPAC name of (2E)-2-[1-[2-(dimethylamino)ethyl-methylamino]ethenyl]-4-methylpenta-2,4-dien-1-ol;ethane (CID 144607384) is (2E)-2-[1-[2-(dimethylamino)ethyl-methylamino]ethenyl]-4-methylpenta-2,4-dien-1-ol;ethane.
What is the SMILES notation for (2E)-2-[1-[2-(dimethylamino)ethyl-methylamino]ethenyl]-4-methylpenta-2,4-dien-1-ol;ethane?
The canonical SMILES for (2E)-2-[1-[2-(dimethylamino)ethyl-methylamino]ethenyl]-4-methylpenta-2,4-dien-1-ol;ethane is C=C(C)/C=C(/CO)C(=C)N(C)CCN(C)C.CC.
What is the InChIKey of (2E)-2-[1-[2-(dimethylamino)ethyl-methylamino]ethenyl]-4-methylpenta-2,4-dien-1-ol;ethane?
The InChIKey is SEWKABAAIXBZFS-CHHCPSLASA-N. The full InChI is InChI=1S/C13H24N2O.C2H6/c1-11(2)9-13(10-16)12(3)15(6)8-7-14(4)5;1-2/h9,16H,1,3,7-8,10H2,2,4-6H3;1-2H3/b13-9-;.
What are the key properties of (2E)-2-[1-[2-(dimethylamino)ethyl-methylamino]ethenyl]-4-methylpenta-2,4-dien-1-ol;ethane?
(2E)-2-[1-[2-(dimethylamino)ethyl-methylamino]ethenyl]-4-methylpenta-2,4-dien-1-ol;ethane has a molecular weight of 254.42 g/mol, XLogP of 2.51, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-[1-[2-(dimethylamino)ethyl-methylamino]ethenyl]-4-methylpenta-2,4-dien-1-ol;ethane is sourced from PubChem (CID 144607384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).