(1E)-N,N-dimethyl-1-morpholin-4-ylbuta-1,3-dien-1-amine

C10H18N2O — CID 139569459

IUPAC(1E)-N,N-dimethyl-1-morpholin-4-ylbuta-1,3-dien-1-amine
SMILESC=C/C=C(\N(C)C)N1CCOCC1
InChIInChI=1S/C10H18N2O/c1-4-5-10(11(2)3)12-6-8-13-9-7-12/h4-5H,1,6-9H2,2-3H3/b10-5+
InChIKeyVXWQMUHJCLBVKF-BJMVGYQFSA-N
MW182.27 g/mol
LogP0.91
Rot. Bonds3

About (1E)-N,N-dimethyl-1-morpholin-4-ylbuta-1,3-dien-1-amine

(1E)-N,N-dimethyl-1-morpholin-4-ylbuta-1,3-dien-1-amine (PubChem CID 139569459) has the molecular formula C10H18N2O and a molecular weight of 182.27 g/mol. Its IUPAC name is (1E)-N,N-dimethyl-1-morpholin-4-ylbuta-1,3-dien-1-amine.

Molecular Properties

Compound Name(1E)-N,N-dimethyl-1-morpholin-4-ylbuta-1,3-dien-1-amine
PubChem CID139569459
Molecular FormulaC10H18N2O
Molecular Weight182.27 g/mol
Exact Mass182.14
IUPAC Name(1E)-N,N-dimethyl-1-morpholin-4-ylbuta-1,3-dien-1-amine
SMILESC=C/C=C(\N(C)C)N1CCOCC1
InChIInChI=1S/C10H18N2O/c1-4-5-10(11(2)3)12-6-8-13-9-7-12/h4-5H,1,6-9H2,2-3H3/b10-5+
InChIKeyVXWQMUHJCLBVKF-BJMVGYQFSA-N
XLogP0.91
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 50.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1E)-N,N-dimethyl-1-morpholin-4-ylbuta-1,3-dien-1-amine?
The IUPAC name of (1E)-N,N-dimethyl-1-morpholin-4-ylbuta-1,3-dien-1-amine (CID 139569459) is (1E)-N,N-dimethyl-1-morpholin-4-ylbuta-1,3-dien-1-amine.
What is the SMILES notation for (1E)-N,N-dimethyl-1-morpholin-4-ylbuta-1,3-dien-1-amine?
The canonical SMILES for (1E)-N,N-dimethyl-1-morpholin-4-ylbuta-1,3-dien-1-amine is C=C/C=C(\N(C)C)N1CCOCC1.
What is the InChIKey of (1E)-N,N-dimethyl-1-morpholin-4-ylbuta-1,3-dien-1-amine?
The InChIKey is VXWQMUHJCLBVKF-BJMVGYQFSA-N. The full InChI is InChI=1S/C10H18N2O/c1-4-5-10(11(2)3)12-6-8-13-9-7-12/h4-5H,1,6-9H2,2-3H3/b10-5+.
What are the key properties of (1E)-N,N-dimethyl-1-morpholin-4-ylbuta-1,3-dien-1-amine?
(1E)-N,N-dimethyl-1-morpholin-4-ylbuta-1,3-dien-1-amine has a molecular weight of 182.27 g/mol, XLogP of 0.91, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1E)-N,N-dimethyl-1-morpholin-4-ylbuta-1,3-dien-1-amine is sourced from PubChem (CID 139569459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).