2-[(3Z)-5-iminohexa-1,3-dien-2-yl]oxy-N,N-dimethylethanamine

C10H18N2O — CID 123341536

IUPAC2-[(3Z)-5-iminohexa-1,3-dien-2-yl]oxy-N,N-dimethylethanamine
SMILES[H]/N=C(C)/C=C\C(=C)OCCN(C)C
InChIInChI=1S/C10H18N2O/c1-9(11)5-6-10(2)13-8-7-12(3)4/h5-6,11H,2,7-8H2,1,3-4H3/b6-5-,11-9+
InChIKeyRTMSAFOFRVPNDO-QEYVUMQQSA-N
MW182.27 g/mol
LogP1.67
Rot. Bonds6

About 2-[(3Z)-5-iminohexa-1,3-dien-2-yl]oxy-N,N-dimethylethanamine

2-[(3Z)-5-iminohexa-1,3-dien-2-yl]oxy-N,N-dimethylethanamine (PubChem CID 123341536) has the molecular formula C10H18N2O and a molecular weight of 182.27 g/mol. Its IUPAC name is 2-[(3Z)-5-iminohexa-1,3-dien-2-yl]oxy-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-[(3Z)-5-iminohexa-1,3-dien-2-yl]oxy-N,N-dimethylethanamine
PubChem CID123341536
Molecular FormulaC10H18N2O
Molecular Weight182.27 g/mol
Exact Mass182.14
IUPAC Name2-[(3Z)-5-iminohexa-1,3-dien-2-yl]oxy-N,N-dimethylethanamine
SMILES[H]/N=C(C)/C=C\C(=C)OCCN(C)C
InChIInChI=1S/C10H18N2O/c1-9(11)5-6-10(2)13-8-7-12(3)4/h5-6,11H,2,7-8H2,1,3-4H3/b6-5-,11-9+
InChIKeyRTMSAFOFRVPNDO-QEYVUMQQSA-N
XLogP1.67
TPSA36.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(3Z)-5-iminohexa-1,3-dien-2-yl]oxy-N,N-dimethylethanamine?
The IUPAC name of 2-[(3Z)-5-iminohexa-1,3-dien-2-yl]oxy-N,N-dimethylethanamine (CID 123341536) is 2-[(3Z)-5-iminohexa-1,3-dien-2-yl]oxy-N,N-dimethylethanamine.
What is the SMILES notation for 2-[(3Z)-5-iminohexa-1,3-dien-2-yl]oxy-N,N-dimethylethanamine?
The canonical SMILES for 2-[(3Z)-5-iminohexa-1,3-dien-2-yl]oxy-N,N-dimethylethanamine is [H]/N=C(C)/C=C\C(=C)OCCN(C)C.
What is the InChIKey of 2-[(3Z)-5-iminohexa-1,3-dien-2-yl]oxy-N,N-dimethylethanamine?
The InChIKey is RTMSAFOFRVPNDO-QEYVUMQQSA-N. The full InChI is InChI=1S/C10H18N2O/c1-9(11)5-6-10(2)13-8-7-12(3)4/h5-6,11H,2,7-8H2,1,3-4H3/b6-5-,11-9+.
What are the key properties of 2-[(3Z)-5-iminohexa-1,3-dien-2-yl]oxy-N,N-dimethylethanamine?
2-[(3Z)-5-iminohexa-1,3-dien-2-yl]oxy-N,N-dimethylethanamine has a molecular weight of 182.27 g/mol, XLogP of 1.67, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3Z)-5-iminohexa-1,3-dien-2-yl]oxy-N,N-dimethylethanamine is sourced from PubChem (CID 123341536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).