(3E)-1-(dimethylamino)-3-ethenylhexa-3,5-dien-2-ol

C10H17NO — CID 143837865

IUPAC(3E)-1-(dimethylamino)-3-ethenylhexa-3,5-dien-2-ol
SMILESC=C/C=C(\C=C)C(O)CN(C)C
InChIInChI=1S/C10H17NO/c1-5-7-9(6-2)10(12)8-11(3)4/h5-7,10,12H,1-2,8H2,3-4H3/b9-7+
InChIKeyXZIZIHRXDXENMW-VQHVLOKHSA-N
MW167.25 g/mol
LogP1.21
Rot. Bonds5

About (3E)-1-(dimethylamino)-3-ethenylhexa-3,5-dien-2-ol

(3E)-1-(dimethylamino)-3-ethenylhexa-3,5-dien-2-ol (PubChem CID 143837865) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is (3E)-1-(dimethylamino)-3-ethenylhexa-3,5-dien-2-ol.

Molecular Properties

Compound Name(3E)-1-(dimethylamino)-3-ethenylhexa-3,5-dien-2-ol
PubChem CID143837865
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Name(3E)-1-(dimethylamino)-3-ethenylhexa-3,5-dien-2-ol
SMILESC=C/C=C(\C=C)C(O)CN(C)C
InChIInChI=1S/C10H17NO/c1-5-7-9(6-2)10(12)8-11(3)4/h5-7,10,12H,1-2,8H2,3-4H3/b9-7+
InChIKeyXZIZIHRXDXENMW-VQHVLOKHSA-N
XLogP1.21
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.25
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

(2R,3R)-2-amino-1-(dimethylamino)-4-ethenylhepta-4,6-dien-3-ol
CID 123741995
ethane;(3E)-3-ethenylhexa-3,5-diene-1,2-diol
CID 145139860
(2R,3E)-3-ethenyl-1-(methylamino)hexa-3,5-dien-2-ol
CID 177168631
ethane;(3Z)-3-propan-2-ylhexa-1,3,5-triene
CID 142182204
(3E)-3-ethenyl-1-(5-methyl-2-pyridinyl)hexa-3,5-dien-2-ol
CID 144927481
(2R,3E)-3-ethenylhexa-3,5-dien-2-amine
CID 142221873
(2S,3E)-3-ethenylhexa-3,5-dien-2-amine
CID 126549063
ethane;methane;(3Z)-3-propan-2-ylhexa-1,3,5-triene
CID 162518558
(2S,3E)-3-ethenyl-N,2-dimethylhexa-3,5-dien-1-amine
CID 154678805
ethane;(3E,6E)-4-ethenyl-6-[(Z)-prop-1-enyl]nona-1,3,6,8-tetraen-5-ol
CID 156838266
1-[(3E)-1-(dimethylamino)-3-[(Z)-prop-1-enyl]hexa-3,5-dien-2-yl]cyclohexan-1-ol
CID 90181939
ethane;(3E)-3-ethenyl-1-(5-phenyl-2-pyridinyl)hexa-3,5-dien-2-ol;methane
CID 144927453

Frequently Asked Questions

What is the IUPAC name of (3E)-1-(dimethylamino)-3-ethenylhexa-3,5-dien-2-ol?
The IUPAC name of (3E)-1-(dimethylamino)-3-ethenylhexa-3,5-dien-2-ol (CID 143837865) is (3E)-1-(dimethylamino)-3-ethenylhexa-3,5-dien-2-ol.
What is the SMILES notation for (3E)-1-(dimethylamino)-3-ethenylhexa-3,5-dien-2-ol?
The canonical SMILES for (3E)-1-(dimethylamino)-3-ethenylhexa-3,5-dien-2-ol is C=C/C=C(\C=C)C(O)CN(C)C.
What is the InChIKey of (3E)-1-(dimethylamino)-3-ethenylhexa-3,5-dien-2-ol?
The InChIKey is XZIZIHRXDXENMW-VQHVLOKHSA-N. The full InChI is InChI=1S/C10H17NO/c1-5-7-9(6-2)10(12)8-11(3)4/h5-7,10,12H,1-2,8H2,3-4H3/b9-7+.
What are the key properties of (3E)-1-(dimethylamino)-3-ethenylhexa-3,5-dien-2-ol?
(3E)-1-(dimethylamino)-3-ethenylhexa-3,5-dien-2-ol has a molecular weight of 167.25 g/mol, XLogP of 1.21, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-1-(dimethylamino)-3-ethenylhexa-3,5-dien-2-ol is sourced from PubChem (CID 143837865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).