N,N-dimethyl-2-[(2E)-penta-2,4-dien-2-yl]oxyethanamine

C9H17NO — CID 88918502

IUPACN,N-dimethyl-2-[(2E)-penta-2,4-dien-2-yl]oxyethanamine
SMILESC=C/C=C(\C)OCCN(C)C
InChIInChI=1S/C9H17NO/c1-5-6-9(2)11-8-7-10(3)4/h5-6H,1,7-8H2,2-4H3/b9-6+
InChIKeyCIESQIMDMKTTSN-RMKNXTFCSA-N
MW155.24 g/mol
LogP1.65
Rot. Bonds5

About N,N-dimethyl-2-[(2E)-penta-2,4-dien-2-yl]oxyethanamine

N,N-dimethyl-2-[(2E)-penta-2,4-dien-2-yl]oxyethanamine (PubChem CID 88918502) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is N,N-dimethyl-2-[(2E)-penta-2,4-dien-2-yl]oxyethanamine.

Molecular Properties

Compound NameN,N-dimethyl-2-[(2E)-penta-2,4-dien-2-yl]oxyethanamine
PubChem CID88918502
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC NameN,N-dimethyl-2-[(2E)-penta-2,4-dien-2-yl]oxyethanamine
SMILESC=C/C=C(\C)OCCN(C)C
InChIInChI=1S/C9H17NO/c1-5-6-9(2)11-8-7-10(3)4/h5-6H,1,7-8H2,2-4H3/b9-6+
InChIKeyCIESQIMDMKTTSN-RMKNXTFCSA-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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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[(2E)-penta-2,4-dien-2-yl]oxyethanamine?
The IUPAC name of N,N-dimethyl-2-[(2E)-penta-2,4-dien-2-yl]oxyethanamine (CID 88918502) is N,N-dimethyl-2-[(2E)-penta-2,4-dien-2-yl]oxyethanamine.
What is the SMILES notation for N,N-dimethyl-2-[(2E)-penta-2,4-dien-2-yl]oxyethanamine?
The canonical SMILES for N,N-dimethyl-2-[(2E)-penta-2,4-dien-2-yl]oxyethanamine is C=C/C=C(\C)OCCN(C)C.
What is the InChIKey of N,N-dimethyl-2-[(2E)-penta-2,4-dien-2-yl]oxyethanamine?
The InChIKey is CIESQIMDMKTTSN-RMKNXTFCSA-N. The full InChI is InChI=1S/C9H17NO/c1-5-6-9(2)11-8-7-10(3)4/h5-6H,1,7-8H2,2-4H3/b9-6+.
What are the key properties of N,N-dimethyl-2-[(2E)-penta-2,4-dien-2-yl]oxyethanamine?
N,N-dimethyl-2-[(2E)-penta-2,4-dien-2-yl]oxyethanamine 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-[(2E)-penta-2,4-dien-2-yl]oxyethanamine is sourced from PubChem (CID 88918502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).