2-hexa-1,3,5-trien-2-yloxy-N,N-dimethylethanamine

C10H17NO — CID 123967594

IUPAC2-hexa-1,3,5-trien-2-yloxy-N,N-dimethylethanamine
SMILESC=CC=CC(=C)OCCN(C)C
InChIInChI=1S/C10H17NO/c1-5-6-7-10(2)12-9-8-11(3)4/h5-7H,1-2,8-9H2,3-4H3
InChIKeyNFFJQCRMXMPDAY-UHFFFAOYSA-N
MW167.25 g/mol
LogP1.82
Rot. Bonds6

About 2-hexa-1,3,5-trien-2-yloxy-N,N-dimethylethanamine

2-hexa-1,3,5-trien-2-yloxy-N,N-dimethylethanamine (PubChem CID 123967594) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is 2-hexa-1,3,5-trien-2-yloxy-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-hexa-1,3,5-trien-2-yloxy-N,N-dimethylethanamine
PubChem CID123967594
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Name2-hexa-1,3,5-trien-2-yloxy-N,N-dimethylethanamine
SMILESC=CC=CC(=C)OCCN(C)C
InChIInChI=1S/C10H17NO/c1-5-6-7-10(2)12-9-8-11(3)4/h5-7H,1-2,8-9H2,3-4H3
InChIKeyNFFJQCRMXMPDAY-UHFFFAOYSA-N
XLogP1.82
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.25
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

Allylamine, 2-(allyloxy)-N,N-dimethyl-
CID 45075
magnesium;N,N-dimethyl-2-(phenoxy)ethanamine;bromide
CID 10923556
4-(2-(Diethylamino)ethoxy)phenylmagnesium bromide
CID 13600839
bromozinc(1+);N,N-dimethyl-2-(phenoxy)ethanamine
CID 11809046
3-Ethoxy-2-dimethylaminopyran
CID 129813457
N-fluoro-N-methyl-2-[(3E)-penta-1,3-dien-3-yl]oxyethanamine
CID 172599685
Trimethyl(2-prop-2-enyloxyethyl)amine
CID 2317160
2-cyclohexa-1,5-dien-1-yloxy-N,N-dimethylethanamine
CID 22619772
(9Z)-4-methyl-1,7-dioxa-4-azacycloundec-9-ene
CID 22899063
magnesium;N,N-dimethyl-2-(phenoxy)ethanamine;chloride
CID 59959738
2-buta-1,3-dien-2-yloxy-N,N-diethylethanamine
CID 60138438
2-buta-1,3-dien-2-yloxy-N,N-dimethylethanamine
CID 60138442

Frequently Asked Questions

What is the IUPAC name of 2-hexa-1,3,5-trien-2-yloxy-N,N-dimethylethanamine?
The IUPAC name of 2-hexa-1,3,5-trien-2-yloxy-N,N-dimethylethanamine (CID 123967594) is 2-hexa-1,3,5-trien-2-yloxy-N,N-dimethylethanamine.
What is the SMILES notation for 2-hexa-1,3,5-trien-2-yloxy-N,N-dimethylethanamine?
The canonical SMILES for 2-hexa-1,3,5-trien-2-yloxy-N,N-dimethylethanamine is C=CC=CC(=C)OCCN(C)C.
What is the InChIKey of 2-hexa-1,3,5-trien-2-yloxy-N,N-dimethylethanamine?
The InChIKey is NFFJQCRMXMPDAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO/c1-5-6-7-10(2)12-9-8-11(3)4/h5-7H,1-2,8-9H2,3-4H3.
What are the key properties of 2-hexa-1,3,5-trien-2-yloxy-N,N-dimethylethanamine?
2-hexa-1,3,5-trien-2-yloxy-N,N-dimethylethanamine has a molecular weight of 167.25 g/mol, XLogP of 1.82, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hexa-1,3,5-trien-2-yloxy-N,N-dimethylethanamine is sourced from PubChem (CID 123967594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).