N,N-dimethyl-2-(3-methylbuta-1,3-dien-2-yloxy)ethanamine

C9H17NO — CID 58330363

IUPACN,N-dimethyl-2-(3-methylbuta-1,3-dien-2-yloxy)ethanamine
SMILESC=C(C)C(=C)OCCN(C)C
InChIInChI=1S/C9H17NO/c1-8(2)9(3)11-7-6-10(4)5/h1,3,6-7H2,2,4-5H3
InChIKeyCAUFETGNDYRYKA-UHFFFAOYSA-N
MW155.24 g/mol
LogP1.65
Rot. Bonds5

About N,N-dimethyl-2-(3-methylbuta-1,3-dien-2-yloxy)ethanamine

N,N-dimethyl-2-(3-methylbuta-1,3-dien-2-yloxy)ethanamine (PubChem CID 58330363) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is N,N-dimethyl-2-(3-methylbuta-1,3-dien-2-yloxy)ethanamine.

Molecular Properties

Compound NameN,N-dimethyl-2-(3-methylbuta-1,3-dien-2-yloxy)ethanamine
PubChem CID58330363
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC NameN,N-dimethyl-2-(3-methylbuta-1,3-dien-2-yloxy)ethanamine
SMILESC=C(C)C(=C)OCCN(C)C
InChIInChI=1S/C9H17NO/c1-8(2)9(3)11-7-6-10(4)5/h1,3,6-7H2,2,4-5H3
InChIKeyCAUFETGNDYRYKA-UHFFFAOYSA-N
XLogP1.65
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 51.65
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

N,N-Dimethyl-2-[(2-methylprop-2-en-1-yl)oxy]ethan-1-amine
CID 17878359
Trimethyl-[2-(2-methylprop-2-enoxy)ethyl]azanium
CID 22770234
Trimethyl-[2-(2-methylprop-2-enoxy)ethyl]azanium bromide
CID 87097382
Trimethyl-[2-(2-methylprop-2-enoxy)ethyl]azanium chloride
CID 87097449
Diethyl-methyl-[2-(2-methylprop-2-enoxy)ethyl]azanium
CID 87264679
Ethyl-dimethyl-[2-(2-methylprop-2-enoxy)ethyl]azanium
CID 87264784
Trimethyl-[2-(2-methylprop-2-enoxy)propyl]azanium
CID 87436821
Triethyl-[2-(2-methylprop-2-enoxy)ethyl]azanium
CID 87437920
Trimethyl-[2-(2-methylprop-2-enoxy)ethyl]azanium iodide
CID 88668296
N,N,N',N'-tetramethyl-2-(3-methylbuta-1,3-dien-2-yloxy)propane-1,3-diamine
CID 88867284
N,N-diethyl-2-(3-methylbuta-1,3-dien-2-yloxy)ethanamine
CID 89594190
N,N-dimethyl-2-(3-methylidenepent-1-en-2-yloxy)ethanamine
CID 123357327

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-(3-methylbuta-1,3-dien-2-yloxy)ethanamine?
The IUPAC name of N,N-dimethyl-2-(3-methylbuta-1,3-dien-2-yloxy)ethanamine (CID 58330363) is N,N-dimethyl-2-(3-methylbuta-1,3-dien-2-yloxy)ethanamine.
What is the SMILES notation for N,N-dimethyl-2-(3-methylbuta-1,3-dien-2-yloxy)ethanamine?
The canonical SMILES for N,N-dimethyl-2-(3-methylbuta-1,3-dien-2-yloxy)ethanamine is C=C(C)C(=C)OCCN(C)C.
What is the InChIKey of N,N-dimethyl-2-(3-methylbuta-1,3-dien-2-yloxy)ethanamine?
The InChIKey is CAUFETGNDYRYKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO/c1-8(2)9(3)11-7-6-10(4)5/h1,3,6-7H2,2,4-5H3.
What are the key properties of N,N-dimethyl-2-(3-methylbuta-1,3-dien-2-yloxy)ethanamine?
N,N-dimethyl-2-(3-methylbuta-1,3-dien-2-yloxy)ethanamine has a molecular weight of 155.24 g/mol, XLogP of 1.65, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-(3-methylbuta-1,3-dien-2-yloxy)ethanamine is sourced from PubChem (CID 58330363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).