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

C10H18N2O — CID 143229893

IUPAC(1E)-N,3-dimethyl-1-morpholin-4-ylbuta-1,3-dien-1-amine
SMILESC=C(C)/C=C(\NC)N1CCOCC1
InChIInChI=1S/C10H18N2O/c1-9(2)8-10(11-3)12-4-6-13-7-5-12/h8,11H,1,4-7H2,2-3H3/b10-8+
InChIKeyMPKLSEHKEYIHGT-CSKARUKUSA-N
MW182.27 g/mol
LogP0.96
Rot. Bonds3

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

(1E)-N,3-dimethyl-1-morpholin-4-ylbuta-1,3-dien-1-amine (PubChem CID 143229893) has the molecular formula C10H18N2O and a molecular weight of 182.27 g/mol. Its IUPAC name is (1E)-N,3-dimethyl-1-morpholin-4-ylbuta-1,3-dien-1-amine.

Molecular Properties

Compound Name(1E)-N,3-dimethyl-1-morpholin-4-ylbuta-1,3-dien-1-amine
PubChem CID143229893
Molecular FormulaC10H18N2O
Molecular Weight182.27 g/mol
Exact Mass182.14
IUPAC Name(1E)-N,3-dimethyl-1-morpholin-4-ylbuta-1,3-dien-1-amine
SMILESC=C(C)/C=C(\NC)N1CCOCC1
InChIInChI=1S/C10H18N2O/c1-9(2)8-10(11-3)12-4-6-13-7-5-12/h8,11H,1,4-7H2,2-3H3/b10-8+
InChIKeyMPKLSEHKEYIHGT-CSKARUKUSA-N
XLogP0.96
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 50.96
H-Bond Donors ≤ 51
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,3-dimethyl-1-morpholin-4-ylbuta-1,3-dien-1-amine?
The IUPAC name of (1E)-N,3-dimethyl-1-morpholin-4-ylbuta-1,3-dien-1-amine (CID 143229893) is (1E)-N,3-dimethyl-1-morpholin-4-ylbuta-1,3-dien-1-amine.
What is the SMILES notation for (1E)-N,3-dimethyl-1-morpholin-4-ylbuta-1,3-dien-1-amine?
The canonical SMILES for (1E)-N,3-dimethyl-1-morpholin-4-ylbuta-1,3-dien-1-amine is C=C(C)/C=C(\NC)N1CCOCC1.
What is the InChIKey of (1E)-N,3-dimethyl-1-morpholin-4-ylbuta-1,3-dien-1-amine?
The InChIKey is MPKLSEHKEYIHGT-CSKARUKUSA-N. The full InChI is InChI=1S/C10H18N2O/c1-9(2)8-10(11-3)12-4-6-13-7-5-12/h8,11H,1,4-7H2,2-3H3/b10-8+.
What are the key properties of (1E)-N,3-dimethyl-1-morpholin-4-ylbuta-1,3-dien-1-amine?
(1E)-N,3-dimethyl-1-morpholin-4-ylbuta-1,3-dien-1-amine has a molecular weight of 182.27 g/mol, XLogP of 0.96, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1E)-N,3-dimethyl-1-morpholin-4-ylbuta-1,3-dien-1-amine is sourced from PubChem (CID 143229893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).