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

C10H19NO — CID 88929526

IUPACN-ethyl-N-methyl-2-[(2E)-penta-2,4-dien-2-yl]oxyethanamine
SMILESC=C/C=C(\C)OCCN(C)CC
InChIInChI=1S/C10H19NO/c1-5-7-10(3)12-9-8-11(4)6-2/h5,7H,1,6,8-9H2,2-4H3/b10-7+
InChIKeyGRBGCMSTDUYIGC-JXMROGBWSA-N
MW169.27 g/mol
LogP2.04
Rot. Bonds6

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

N-ethyl-N-methyl-2-[(2E)-penta-2,4-dien-2-yl]oxyethanamine (PubChem CID 88929526) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is N-ethyl-N-methyl-2-[(2E)-penta-2,4-dien-2-yl]oxyethanamine.

Molecular Properties

Compound NameN-ethyl-N-methyl-2-[(2E)-penta-2,4-dien-2-yl]oxyethanamine
PubChem CID88929526
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC NameN-ethyl-N-methyl-2-[(2E)-penta-2,4-dien-2-yl]oxyethanamine
SMILESC=C/C=C(\C)OCCN(C)CC
InChIInChI=1S/C10H19NO/c1-5-7-10(3)12-9-8-11(4)6-2/h5,7H,1,6,8-9H2,2-4H3/b10-7+
InChIKeyGRBGCMSTDUYIGC-JXMROGBWSA-N
XLogP2.04
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 52.04
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-ethyl-N-methyl-2-[(2E)-penta-2,4-dien-2-yl]oxyethanamine?
The IUPAC name of N-ethyl-N-methyl-2-[(2E)-penta-2,4-dien-2-yl]oxyethanamine (CID 88929526) is N-ethyl-N-methyl-2-[(2E)-penta-2,4-dien-2-yl]oxyethanamine.
What is the SMILES notation for N-ethyl-N-methyl-2-[(2E)-penta-2,4-dien-2-yl]oxyethanamine?
The canonical SMILES for N-ethyl-N-methyl-2-[(2E)-penta-2,4-dien-2-yl]oxyethanamine is C=C/C=C(\C)OCCN(C)CC.
What is the InChIKey of N-ethyl-N-methyl-2-[(2E)-penta-2,4-dien-2-yl]oxyethanamine?
The InChIKey is GRBGCMSTDUYIGC-JXMROGBWSA-N. The full InChI is InChI=1S/C10H19NO/c1-5-7-10(3)12-9-8-11(4)6-2/h5,7H,1,6,8-9H2,2-4H3/b10-7+.
What are the key properties of N-ethyl-N-methyl-2-[(2E)-penta-2,4-dien-2-yl]oxyethanamine?
N-ethyl-N-methyl-2-[(2E)-penta-2,4-dien-2-yl]oxyethanamine has a molecular weight of 169.27 g/mol, XLogP of 2.04, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-methyl-2-[(2E)-penta-2,4-dien-2-yl]oxyethanamine is sourced from PubChem (CID 88929526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).