ethane;3-[[(2E)-2-ethenylpenta-2,4-dienyl]-methylamino]propan-1-ol

C13H25NO — CID 144791966

IUPACethane;3-[[(2E)-2-ethenylpenta-2,4-dienyl]-methylamino]propan-1-ol
SMILESC=C/C=C(\C=C)CN(C)CCCO.CC
InChIInChI=1S/C11H19NO.C2H6/c1-4-7-11(5-2)10-12(3)8-6-9-13;1-2/h4-5,7,13H,1-2,6,8-10H2,3H3;1-2H3/b11-7+;
InChIKeyGQMZQSGVRDQCQF-RVDQCCQOSA-N
MW211.35 g/mol
LogP2.63
Rot. Bonds7

About ethane;3-[[(2E)-2-ethenylpenta-2,4-dienyl]-methylamino]propan-1-ol

ethane;3-[[(2E)-2-ethenylpenta-2,4-dienyl]-methylamino]propan-1-ol (PubChem CID 144791966) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is ethane;3-[[(2E)-2-ethenylpenta-2,4-dienyl]-methylamino]propan-1-ol.

Molecular Properties

Compound Nameethane;3-[[(2E)-2-ethenylpenta-2,4-dienyl]-methylamino]propan-1-ol
PubChem CID144791966
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC Nameethane;3-[[(2E)-2-ethenylpenta-2,4-dienyl]-methylamino]propan-1-ol
SMILESC=C/C=C(\C=C)CN(C)CCCO.CC
InChIInChI=1S/C11H19NO.C2H6/c1-4-7-11(5-2)10-12(3)8-6-9-13;1-2/h4-5,7,13H,1-2,6,8-10H2,3H3;1-2H3/b11-7+;
InChIKeyGQMZQSGVRDQCQF-RVDQCCQOSA-N
XLogP2.63
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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;3-[[(2E)-2-ethenylpenta-2,4-dienyl]-methylamino]propan-1-ol?
The IUPAC name of ethane;3-[[(2E)-2-ethenylpenta-2,4-dienyl]-methylamino]propan-1-ol (CID 144791966) is ethane;3-[[(2E)-2-ethenylpenta-2,4-dienyl]-methylamino]propan-1-ol.
What is the SMILES notation for ethane;3-[[(2E)-2-ethenylpenta-2,4-dienyl]-methylamino]propan-1-ol?
The canonical SMILES for ethane;3-[[(2E)-2-ethenylpenta-2,4-dienyl]-methylamino]propan-1-ol is C=C/C=C(\C=C)CN(C)CCCO.CC.
What is the InChIKey of ethane;3-[[(2E)-2-ethenylpenta-2,4-dienyl]-methylamino]propan-1-ol?
The InChIKey is GQMZQSGVRDQCQF-RVDQCCQOSA-N. The full InChI is InChI=1S/C11H19NO.C2H6/c1-4-7-11(5-2)10-12(3)8-6-9-13;1-2/h4-5,7,13H,1-2,6,8-10H2,3H3;1-2H3/b11-7+;.
What are the key properties of ethane;3-[[(2E)-2-ethenylpenta-2,4-dienyl]-methylamino]propan-1-ol?
ethane;3-[[(2E)-2-ethenylpenta-2,4-dienyl]-methylamino]propan-1-ol has a molecular weight of 211.35 g/mol, XLogP of 2.63, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-[[(2E)-2-ethenylpenta-2,4-dienyl]-methylamino]propan-1-ol is sourced from PubChem (CID 144791966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).