(E)-4-(dimethylamino)-2,5-dimethylhex-2-en-1-ol

C10H21NO — CID 87065083

IUPAC(E)-4-(dimethylamino)-2,5-dimethylhex-2-en-1-ol
SMILESC/C(=C\C(C(C)C)N(C)C)CO
InChIInChI=1S/C10H21NO/c1-8(2)10(11(4)5)6-9(3)7-12/h6,8,10,12H,7H2,1-5H3/b9-6+
InChIKeyHLMHLLYOGAOGLS-RMKNXTFCSA-N
MW171.28 g/mol
LogP1.51
Rot. Bonds4

About (E)-4-(dimethylamino)-2,5-dimethylhex-2-en-1-ol

(E)-4-(dimethylamino)-2,5-dimethylhex-2-en-1-ol (PubChem CID 87065083) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is (E)-4-(dimethylamino)-2,5-dimethylhex-2-en-1-ol.

Molecular Properties

Compound Name(E)-4-(dimethylamino)-2,5-dimethylhex-2-en-1-ol
PubChem CID87065083
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC Name(E)-4-(dimethylamino)-2,5-dimethylhex-2-en-1-ol
SMILESC/C(=C\C(C(C)C)N(C)C)CO
InChIInChI=1S/C10H21NO/c1-8(2)10(11(4)5)6-9(3)7-12/h6,8,10,12H,7H2,1-5H3/b9-6+
InChIKeyHLMHLLYOGAOGLS-RMKNXTFCSA-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 (E)-4-(dimethylamino)-2,5-dimethylhex-2-en-1-ol?
The IUPAC name of (E)-4-(dimethylamino)-2,5-dimethylhex-2-en-1-ol (CID 87065083) is (E)-4-(dimethylamino)-2,5-dimethylhex-2-en-1-ol.
What is the SMILES notation for (E)-4-(dimethylamino)-2,5-dimethylhex-2-en-1-ol?
The canonical SMILES for (E)-4-(dimethylamino)-2,5-dimethylhex-2-en-1-ol is C/C(=C\C(C(C)C)N(C)C)CO.
What is the InChIKey of (E)-4-(dimethylamino)-2,5-dimethylhex-2-en-1-ol?
The InChIKey is HLMHLLYOGAOGLS-RMKNXTFCSA-N. The full InChI is InChI=1S/C10H21NO/c1-8(2)10(11(4)5)6-9(3)7-12/h6,8,10,12H,7H2,1-5H3/b9-6+.
What are the key properties of (E)-4-(dimethylamino)-2,5-dimethylhex-2-en-1-ol?
(E)-4-(dimethylamino)-2,5-dimethylhex-2-en-1-ol 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 (E)-4-(dimethylamino)-2,5-dimethylhex-2-en-1-ol is sourced from PubChem (CID 87065083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).