2-[[(E)-4,4-dimethylpent-2-enyl]-methylamino]ethanol

C10H21NO — CID 58223245

IUPAC2-[[(E)-4,4-dimethylpent-2-enyl]-methylamino]ethanol
SMILESCN(C/C=C/C(C)(C)C)CCO
InChIInChI=1S/C10H21NO/c1-10(2,3)6-5-7-11(4)8-9-12/h5-6,12H,7-9H2,1-4H3/b6-5+
InChIKeyJPEQRQUIPKMEIR-AATRIKPKSA-N
MW171.28 g/mol
LogP1.51
Rot. Bonds4

About 2-[[(E)-4,4-dimethylpent-2-enyl]-methylamino]ethanol

2-[[(E)-4,4-dimethylpent-2-enyl]-methylamino]ethanol (PubChem CID 58223245) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is 2-[[(E)-4,4-dimethylpent-2-enyl]-methylamino]ethanol.

Molecular Properties

Compound Name2-[[(E)-4,4-dimethylpent-2-enyl]-methylamino]ethanol
PubChem CID58223245
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC Name2-[[(E)-4,4-dimethylpent-2-enyl]-methylamino]ethanol
SMILESCN(C/C=C/C(C)(C)C)CCO
InChIInChI=1S/C10H21NO/c1-10(2,3)6-5-7-11(4)8-9-12/h5-6,12H,7-9H2,1-4H3/b6-5+
InChIKeyJPEQRQUIPKMEIR-AATRIKPKSA-N
XLogP1.51
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.28
LogP ≤ 51.51
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-[[(E)-4,4-dimethylpent-2-enyl]-methylamino]ethanol?
The IUPAC name of 2-[[(E)-4,4-dimethylpent-2-enyl]-methylamino]ethanol (CID 58223245) is 2-[[(E)-4,4-dimethylpent-2-enyl]-methylamino]ethanol.
What is the SMILES notation for 2-[[(E)-4,4-dimethylpent-2-enyl]-methylamino]ethanol?
The canonical SMILES for 2-[[(E)-4,4-dimethylpent-2-enyl]-methylamino]ethanol is CN(C/C=C/C(C)(C)C)CCO.
What is the InChIKey of 2-[[(E)-4,4-dimethylpent-2-enyl]-methylamino]ethanol?
The InChIKey is JPEQRQUIPKMEIR-AATRIKPKSA-N. The full InChI is InChI=1S/C10H21NO/c1-10(2,3)6-5-7-11(4)8-9-12/h5-6,12H,7-9H2,1-4H3/b6-5+.
What are the key properties of 2-[[(E)-4,4-dimethylpent-2-enyl]-methylamino]ethanol?
2-[[(E)-4,4-dimethylpent-2-enyl]-methylamino]ethanol has a molecular weight of 171.28 g/mol, XLogP of 1.51, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(E)-4,4-dimethylpent-2-enyl]-methylamino]ethanol is sourced from PubChem (CID 58223245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).