acetylene;ethane;(2Z,5E)-N-methyl-5-morpholin-4-ylhepta-2,5-dien-1-amine

C16H30N2O — CID 142239070

IUPACacetylene;ethane;(2Z,5E)-N-methyl-5-morpholin-4-ylhepta-2,5-dien-1-amine
SMILESC#C.C/C=C(\C/C=C\CNC)N1CCOCC1.CC
InChIInChI=1S/C12H22N2O.C2H6.C2H2/c1-3-12(6-4-5-7-13-2)14-8-10-15-11-9-14;2*1-2/h3-5,13H,6-11H2,1-2H3;1-2H3;1-2H/b5-4-,12-3+;;
InChIKeyQNOVCKPHPIRQDH-OYFWBJFYSA-N
MW266.43 g/mol
LogP2.66
Rot. Bonds5

About acetylene;ethane;(2Z,5E)-N-methyl-5-morpholin-4-ylhepta-2,5-dien-1-amine

acetylene;ethane;(2Z,5E)-N-methyl-5-morpholin-4-ylhepta-2,5-dien-1-amine (PubChem CID 142239070) has the molecular formula C16H30N2O and a molecular weight of 266.43 g/mol. Its IUPAC name is acetylene;ethane;(2Z,5E)-N-methyl-5-morpholin-4-ylhepta-2,5-dien-1-amine.

Molecular Properties

Compound Nameacetylene;ethane;(2Z,5E)-N-methyl-5-morpholin-4-ylhepta-2,5-dien-1-amine
PubChem CID142239070
Molecular FormulaC16H30N2O
Molecular Weight266.43 g/mol
Exact Mass266.24
IUPAC Nameacetylene;ethane;(2Z,5E)-N-methyl-5-morpholin-4-ylhepta-2,5-dien-1-amine
SMILESC#C.C/C=C(\C/C=C\CNC)N1CCOCC1.CC
InChIInChI=1S/C12H22N2O.C2H6.C2H2/c1-3-12(6-4-5-7-13-2)14-8-10-15-11-9-14;2*1-2/h3-5,13H,6-11H2,1-2H3;1-2H3;1-2H/b5-4-,12-3+;;
InChIKeyQNOVCKPHPIRQDH-OYFWBJFYSA-N
XLogP2.66
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.43
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of acetylene;ethane;(2Z,5E)-N-methyl-5-morpholin-4-ylhepta-2,5-dien-1-amine?
The IUPAC name of acetylene;ethane;(2Z,5E)-N-methyl-5-morpholin-4-ylhepta-2,5-dien-1-amine (CID 142239070) is acetylene;ethane;(2Z,5E)-N-methyl-5-morpholin-4-ylhepta-2,5-dien-1-amine.
What is the SMILES notation for acetylene;ethane;(2Z,5E)-N-methyl-5-morpholin-4-ylhepta-2,5-dien-1-amine?
The canonical SMILES for acetylene;ethane;(2Z,5E)-N-methyl-5-morpholin-4-ylhepta-2,5-dien-1-amine is C#C.C/C=C(\C/C=C\CNC)N1CCOCC1.CC.
What is the InChIKey of acetylene;ethane;(2Z,5E)-N-methyl-5-morpholin-4-ylhepta-2,5-dien-1-amine?
The InChIKey is QNOVCKPHPIRQDH-OYFWBJFYSA-N. The full InChI is InChI=1S/C12H22N2O.C2H6.C2H2/c1-3-12(6-4-5-7-13-2)14-8-10-15-11-9-14;2*1-2/h3-5,13H,6-11H2,1-2H3;1-2H3;1-2H/b5-4-,12-3+;;.
What are the key properties of acetylene;ethane;(2Z,5E)-N-methyl-5-morpholin-4-ylhepta-2,5-dien-1-amine?
acetylene;ethane;(2Z,5E)-N-methyl-5-morpholin-4-ylhepta-2,5-dien-1-amine has a molecular weight of 266.43 g/mol, XLogP of 2.66, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for acetylene;ethane;(2Z,5E)-N-methyl-5-morpholin-4-ylhepta-2,5-dien-1-amine is sourced from PubChem (CID 142239070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).