2-[methyl(2-methylidenepent-3-enyl)amino]ethanol

C9H17NO — CID 123249276

IUPAC2-[methyl(2-methylidenepent-3-enyl)amino]ethanol
SMILESC=C(C=CC)CN(C)CCO
InChIInChI=1S/C9H17NO/c1-4-5-9(2)8-10(3)6-7-11/h4-5,11H,2,6-8H2,1,3H3
InChIKeyDXTACTKFRHXIRV-UHFFFAOYSA-N
MW155.24 g/mol
LogP1.04
Rot. Bonds5

About 2-[methyl(2-methylidenepent-3-enyl)amino]ethanol

2-[methyl(2-methylidenepent-3-enyl)amino]ethanol (PubChem CID 123249276) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is 2-[methyl(2-methylidenepent-3-enyl)amino]ethanol.

Molecular Properties

Compound Name2-[methyl(2-methylidenepent-3-enyl)amino]ethanol
PubChem CID123249276
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name2-[methyl(2-methylidenepent-3-enyl)amino]ethanol
SMILESC=C(C=CC)CN(C)CCO
InChIInChI=1S/C9H17NO/c1-4-5-9(2)8-10(3)6-7-11/h4-5,11H,2,6-8H2,1,3H3
InChIKeyDXTACTKFRHXIRV-UHFFFAOYSA-N
XLogP1.04
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 51.04
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 2-[methyl(2-methylidenepent-3-enyl)amino]ethanol?
The IUPAC name of 2-[methyl(2-methylidenepent-3-enyl)amino]ethanol (CID 123249276) is 2-[methyl(2-methylidenepent-3-enyl)amino]ethanol.
What is the SMILES notation for 2-[methyl(2-methylidenepent-3-enyl)amino]ethanol?
The canonical SMILES for 2-[methyl(2-methylidenepent-3-enyl)amino]ethanol is C=C(C=CC)CN(C)CCO.
What is the InChIKey of 2-[methyl(2-methylidenepent-3-enyl)amino]ethanol?
The InChIKey is DXTACTKFRHXIRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO/c1-4-5-9(2)8-10(3)6-7-11/h4-5,11H,2,6-8H2,1,3H3.
What are the key properties of 2-[methyl(2-methylidenepent-3-enyl)amino]ethanol?
2-[methyl(2-methylidenepent-3-enyl)amino]ethanol has a molecular weight of 155.24 g/mol, XLogP of 1.04, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(2-methylidenepent-3-enyl)amino]ethanol is sourced from PubChem (CID 123249276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).