ethane;(Z)-2-(methylamino)hex-3-en-1-ol

C13H33NO — CID 144566531

IUPACethane;(Z)-2-(methylamino)hex-3-en-1-ol
SMILESCC.CC.CC.CC/C=C\C(CO)NC
InChIInChI=1S/C7H15NO.3C2H6/c1-3-4-5-7(6-9)8-2;3*1-2/h4-5,7-9H,3,6H2,1-2H3;3*1-2H3/b5-4-;;;
InChIKeyUTRRIZDHYOFMQX-OAWHIZORSA-N
MW219.41 g/mol
LogP3.61
Rot. Bonds4

About ethane;(Z)-2-(methylamino)hex-3-en-1-ol

ethane;(Z)-2-(methylamino)hex-3-en-1-ol (PubChem CID 144566531) has the molecular formula C13H33NO and a molecular weight of 219.41 g/mol. Its IUPAC name is ethane;(Z)-2-(methylamino)hex-3-en-1-ol.

Molecular Properties

Compound Nameethane;(Z)-2-(methylamino)hex-3-en-1-ol
PubChem CID144566531
Molecular FormulaC13H33NO
Molecular Weight219.41 g/mol
Exact Mass219.26
IUPAC Nameethane;(Z)-2-(methylamino)hex-3-en-1-ol
SMILESCC.CC.CC.CC/C=C\C(CO)NC
InChIInChI=1S/C7H15NO.3C2H6/c1-3-4-5-7(6-9)8-2;3*1-2/h4-5,7-9H,3,6H2,1-2H3;3*1-2H3/b5-4-;;;
InChIKeyUTRRIZDHYOFMQX-OAWHIZORSA-N
XLogP3.61
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.41
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethane;(Z)-2-(methylamino)hex-3-en-1-ol?
The IUPAC name of ethane;(Z)-2-(methylamino)hex-3-en-1-ol (CID 144566531) is ethane;(Z)-2-(methylamino)hex-3-en-1-ol.
What is the SMILES notation for ethane;(Z)-2-(methylamino)hex-3-en-1-ol?
The canonical SMILES for ethane;(Z)-2-(methylamino)hex-3-en-1-ol is CC.CC.CC.CC/C=C\C(CO)NC.
What is the InChIKey of ethane;(Z)-2-(methylamino)hex-3-en-1-ol?
The InChIKey is UTRRIZDHYOFMQX-OAWHIZORSA-N. The full InChI is InChI=1S/C7H15NO.3C2H6/c1-3-4-5-7(6-9)8-2;3*1-2/h4-5,7-9H,3,6H2,1-2H3;3*1-2H3/b5-4-;;;.
What are the key properties of ethane;(Z)-2-(methylamino)hex-3-en-1-ol?
ethane;(Z)-2-(methylamino)hex-3-en-1-ol has a molecular weight of 219.41 g/mol, XLogP of 3.61, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(Z)-2-(methylamino)hex-3-en-1-ol is sourced from PubChem (CID 144566531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).