1-[[(3Z)-2,2-dimethylhexa-3,5-dien-3-yl]-methylamino]ethanol

C11H21NO — CID 135181454

IUPAC1-[[(3Z)-2,2-dimethylhexa-3,5-dien-3-yl]-methylamino]ethanol
SMILESC=C/C=C(\N(C)C(C)O)C(C)(C)C
InChIInChI=1S/C11H21NO/c1-7-8-10(11(3,4)5)12(6)9(2)13/h7-9,13H,1H2,2-6H3/b10-8-
InChIKeyVAZXXWHOSICFPO-NTMALXAHSA-N
MW183.29 g/mol
LogP2.37
Rot. Bonds3

About 1-[[(3Z)-2,2-dimethylhexa-3,5-dien-3-yl]-methylamino]ethanol

1-[[(3Z)-2,2-dimethylhexa-3,5-dien-3-yl]-methylamino]ethanol (PubChem CID 135181454) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is 1-[[(3Z)-2,2-dimethylhexa-3,5-dien-3-yl]-methylamino]ethanol.

Molecular Properties

Compound Name1-[[(3Z)-2,2-dimethylhexa-3,5-dien-3-yl]-methylamino]ethanol
PubChem CID135181454
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC Name1-[[(3Z)-2,2-dimethylhexa-3,5-dien-3-yl]-methylamino]ethanol
SMILESC=C/C=C(\N(C)C(C)O)C(C)(C)C
InChIInChI=1S/C11H21NO/c1-7-8-10(11(3,4)5)12(6)9(2)13/h7-9,13H,1H2,2-6H3/b10-8-
InChIKeyVAZXXWHOSICFPO-NTMALXAHSA-N
XLogP2.37
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[[(3Z)-2,2-dimethylhexa-3,5-dien-3-yl]-methylamino]ethanol?
The IUPAC name of 1-[[(3Z)-2,2-dimethylhexa-3,5-dien-3-yl]-methylamino]ethanol (CID 135181454) is 1-[[(3Z)-2,2-dimethylhexa-3,5-dien-3-yl]-methylamino]ethanol.
What is the SMILES notation for 1-[[(3Z)-2,2-dimethylhexa-3,5-dien-3-yl]-methylamino]ethanol?
The canonical SMILES for 1-[[(3Z)-2,2-dimethylhexa-3,5-dien-3-yl]-methylamino]ethanol is C=C/C=C(\N(C)C(C)O)C(C)(C)C.
What is the InChIKey of 1-[[(3Z)-2,2-dimethylhexa-3,5-dien-3-yl]-methylamino]ethanol?
The InChIKey is VAZXXWHOSICFPO-NTMALXAHSA-N. The full InChI is InChI=1S/C11H21NO/c1-7-8-10(11(3,4)5)12(6)9(2)13/h7-9,13H,1H2,2-6H3/b10-8-.
What are the key properties of 1-[[(3Z)-2,2-dimethylhexa-3,5-dien-3-yl]-methylamino]ethanol?
1-[[(3Z)-2,2-dimethylhexa-3,5-dien-3-yl]-methylamino]ethanol has a molecular weight of 183.29 g/mol, XLogP of 2.37, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(3Z)-2,2-dimethylhexa-3,5-dien-3-yl]-methylamino]ethanol is sourced from PubChem (CID 135181454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).