(2E,4E)-5-(3-morpholin-4-ylpropoxy)-N-propan-2-ylhepta-2,4,6-trien-2-amine

C17H30N2O2 — CID 143181225

IUPAC(2E,4E)-5-(3-morpholin-4-ylpropoxy)-N-propan-2-ylhepta-2,4,6-trien-2-amine
SMILESC=C/C(=C\C=C(/C)NC(C)C)OCCCN1CCOCC1
InChIInChI=1S/C17H30N2O2/c1-5-17(8-7-16(4)18-15(2)3)21-12-6-9-19-10-13-20-14-11-19/h5,7-8,15,18H,1,6,9-14H2,2-4H3/b16-7+,17-8+
InChIKeyVXBYVVQQBADTIO-GDWCLCACSA-N
MW294.44 g/mol
LogP2.70
Rot. Bonds9

About (2E,4E)-5-(3-morpholin-4-ylpropoxy)-N-propan-2-ylhepta-2,4,6-trien-2-amine

(2E,4E)-5-(3-morpholin-4-ylpropoxy)-N-propan-2-ylhepta-2,4,6-trien-2-amine (PubChem CID 143181225) has the molecular formula C17H30N2O2 and a molecular weight of 294.44 g/mol. Its IUPAC name is (2E,4E)-5-(3-morpholin-4-ylpropoxy)-N-propan-2-ylhepta-2,4,6-trien-2-amine.

Molecular Properties

Compound Name(2E,4E)-5-(3-morpholin-4-ylpropoxy)-N-propan-2-ylhepta-2,4,6-trien-2-amine
PubChem CID143181225
Molecular FormulaC17H30N2O2
Molecular Weight294.44 g/mol
Exact Mass294.23
IUPAC Name(2E,4E)-5-(3-morpholin-4-ylpropoxy)-N-propan-2-ylhepta-2,4,6-trien-2-amine
SMILESC=C/C(=C\C=C(/C)NC(C)C)OCCCN1CCOCC1
InChIInChI=1S/C17H30N2O2/c1-5-17(8-7-16(4)18-15(2)3)21-12-6-9-19-10-13-20-14-11-19/h5,7-8,15,18H,1,6,9-14H2,2-4H3/b16-7+,17-8+
InChIKeyVXBYVVQQBADTIO-GDWCLCACSA-N
XLogP2.70
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.44
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 (2E,4E)-5-(3-morpholin-4-ylpropoxy)-N-propan-2-ylhepta-2,4,6-trien-2-amine?
The IUPAC name of (2E,4E)-5-(3-morpholin-4-ylpropoxy)-N-propan-2-ylhepta-2,4,6-trien-2-amine (CID 143181225) is (2E,4E)-5-(3-morpholin-4-ylpropoxy)-N-propan-2-ylhepta-2,4,6-trien-2-amine.
What is the SMILES notation for (2E,4E)-5-(3-morpholin-4-ylpropoxy)-N-propan-2-ylhepta-2,4,6-trien-2-amine?
The canonical SMILES for (2E,4E)-5-(3-morpholin-4-ylpropoxy)-N-propan-2-ylhepta-2,4,6-trien-2-amine is C=C/C(=C\C=C(/C)NC(C)C)OCCCN1CCOCC1.
What is the InChIKey of (2E,4E)-5-(3-morpholin-4-ylpropoxy)-N-propan-2-ylhepta-2,4,6-trien-2-amine?
The InChIKey is VXBYVVQQBADTIO-GDWCLCACSA-N. The full InChI is InChI=1S/C17H30N2O2/c1-5-17(8-7-16(4)18-15(2)3)21-12-6-9-19-10-13-20-14-11-19/h5,7-8,15,18H,1,6,9-14H2,2-4H3/b16-7+,17-8+.
What are the key properties of (2E,4E)-5-(3-morpholin-4-ylpropoxy)-N-propan-2-ylhepta-2,4,6-trien-2-amine?
(2E,4E)-5-(3-morpholin-4-ylpropoxy)-N-propan-2-ylhepta-2,4,6-trien-2-amine has a molecular weight of 294.44 g/mol, XLogP of 2.70, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-5-(3-morpholin-4-ylpropoxy)-N-propan-2-ylhepta-2,4,6-trien-2-amine is sourced from PubChem (CID 143181225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).