3-[(2E,4E)-4-methoxyhexa-2,4-dien-3-yl]oxy-N,N-dimethylpropan-1-amine

C12H23NO2 — CID 142460710

IUPAC3-[(2E,4E)-4-methoxyhexa-2,4-dien-3-yl]oxy-N,N-dimethylpropan-1-amine
SMILESC/C=C(OC)\C(=C/C)OCCCN(C)C
InChIInChI=1S/C12H23NO2/c1-6-11(14-5)12(7-2)15-10-8-9-13(3)4/h6-7H,8-10H2,1-5H3/b11-6+,12-7+
InChIKeyNXOZUSSUGULQQC-GNXRPPCSSA-N
MW213.32 g/mol
LogP2.41
Rot. Bonds7

About 3-[(2E,4E)-4-methoxyhexa-2,4-dien-3-yl]oxy-N,N-dimethylpropan-1-amine

3-[(2E,4E)-4-methoxyhexa-2,4-dien-3-yl]oxy-N,N-dimethylpropan-1-amine (PubChem CID 142460710) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is 3-[(2E,4E)-4-methoxyhexa-2,4-dien-3-yl]oxy-N,N-dimethylpropan-1-amine.

Molecular Properties

Compound Name3-[(2E,4E)-4-methoxyhexa-2,4-dien-3-yl]oxy-N,N-dimethylpropan-1-amine
PubChem CID142460710
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC Name3-[(2E,4E)-4-methoxyhexa-2,4-dien-3-yl]oxy-N,N-dimethylpropan-1-amine
SMILESC/C=C(OC)\C(=C/C)OCCCN(C)C
InChIInChI=1S/C12H23NO2/c1-6-11(14-5)12(7-2)15-10-8-9-13(3)4/h6-7H,8-10H2,1-5H3/b11-6+,12-7+
InChIKeyNXOZUSSUGULQQC-GNXRPPCSSA-N
XLogP2.41
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[(2E,4E)-4-methoxyhexa-2,4-dien-3-yl]oxy-N,N-dimethylpropan-1-amine?
The IUPAC name of 3-[(2E,4E)-4-methoxyhexa-2,4-dien-3-yl]oxy-N,N-dimethylpropan-1-amine (CID 142460710) is 3-[(2E,4E)-4-methoxyhexa-2,4-dien-3-yl]oxy-N,N-dimethylpropan-1-amine.
What is the SMILES notation for 3-[(2E,4E)-4-methoxyhexa-2,4-dien-3-yl]oxy-N,N-dimethylpropan-1-amine?
The canonical SMILES for 3-[(2E,4E)-4-methoxyhexa-2,4-dien-3-yl]oxy-N,N-dimethylpropan-1-amine is C/C=C(OC)\C(=C/C)OCCCN(C)C.
What is the InChIKey of 3-[(2E,4E)-4-methoxyhexa-2,4-dien-3-yl]oxy-N,N-dimethylpropan-1-amine?
The InChIKey is NXOZUSSUGULQQC-GNXRPPCSSA-N. The full InChI is InChI=1S/C12H23NO2/c1-6-11(14-5)12(7-2)15-10-8-9-13(3)4/h6-7H,8-10H2,1-5H3/b11-6+,12-7+.
What are the key properties of 3-[(2E,4E)-4-methoxyhexa-2,4-dien-3-yl]oxy-N,N-dimethylpropan-1-amine?
3-[(2E,4E)-4-methoxyhexa-2,4-dien-3-yl]oxy-N,N-dimethylpropan-1-amine has a molecular weight of 213.32 g/mol, XLogP of 2.41, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2E,4E)-4-methoxyhexa-2,4-dien-3-yl]oxy-N,N-dimethylpropan-1-amine is sourced from PubChem (CID 142460710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).