2-[methyl-[(Z)-pent-2-enyl]amino]ethanol

C8H17NO — CID 90058860

IUPAC2-[methyl-[(Z)-pent-2-enyl]amino]ethanol
SMILESCC/C=C\CN(C)CCO
InChIInChI=1S/C8H17NO/c1-3-4-5-6-9(2)7-8-10/h4-5,10H,3,6-8H2,1-2H3/b5-4-
InChIKeyZWXYJIFNWMDGKX-PLNGDYQASA-N
MW143.23 g/mol
LogP0.88
Rot. Bonds5

About 2-[methyl-[(Z)-pent-2-enyl]amino]ethanol

2-[methyl-[(Z)-pent-2-enyl]amino]ethanol (PubChem CID 90058860) has the molecular formula C8H17NO and a molecular weight of 143.23 g/mol. Its IUPAC name is 2-[methyl-[(Z)-pent-2-enyl]amino]ethanol.

Molecular Properties

Compound Name2-[methyl-[(Z)-pent-2-enyl]amino]ethanol
PubChem CID90058860
Molecular FormulaC8H17NO
Molecular Weight143.23 g/mol
Exact Mass143.13
IUPAC Name2-[methyl-[(Z)-pent-2-enyl]amino]ethanol
SMILESCC/C=C\CN(C)CCO
InChIInChI=1S/C8H17NO/c1-3-4-5-6-9(2)7-8-10/h4-5,10H,3,6-8H2,1-2H3/b5-4-
InChIKeyZWXYJIFNWMDGKX-PLNGDYQASA-N
XLogP0.88
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.23
LogP ≤ 50.88
H-Bond Donors ≤ 51
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 2-[methyl-[(Z)-pent-2-enyl]amino]ethanol?
The IUPAC name of 2-[methyl-[(Z)-pent-2-enyl]amino]ethanol (CID 90058860) is 2-[methyl-[(Z)-pent-2-enyl]amino]ethanol.
What is the SMILES notation for 2-[methyl-[(Z)-pent-2-enyl]amino]ethanol?
The canonical SMILES for 2-[methyl-[(Z)-pent-2-enyl]amino]ethanol is CC/C=C\CN(C)CCO.
What is the InChIKey of 2-[methyl-[(Z)-pent-2-enyl]amino]ethanol?
The InChIKey is ZWXYJIFNWMDGKX-PLNGDYQASA-N. The full InChI is InChI=1S/C8H17NO/c1-3-4-5-6-9(2)7-8-10/h4-5,10H,3,6-8H2,1-2H3/b5-4-.
What are the key properties of 2-[methyl-[(Z)-pent-2-enyl]amino]ethanol?
2-[methyl-[(Z)-pent-2-enyl]amino]ethanol has a molecular weight of 143.23 g/mol, XLogP of 0.88, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[(Z)-pent-2-enyl]amino]ethanol is sourced from PubChem (CID 90058860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).