N-[2-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]oxypropyl]-N-methyloxolan-3-amine

C15H25NO2 — CID 170626439

IUPACN-[2-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]oxypropyl]-N-methyloxolan-3-amine
SMILESC=C(/C=C\C=C/C)OC(C)CN(C)C1CCOC1
InChIInChI=1S/C15H25NO2/c1-5-6-7-8-13(2)18-14(3)11-16(4)15-9-10-17-12-15/h5-8,14-15H,2,9-12H2,1,3-4H3/b6-5-,8-7-
InChIKeyHUNJZYHUWFZMIZ-ISTTXYCBSA-N
MW251.37 g/mol
LogP2.76
Rot. Bonds7

About N-[2-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]oxypropyl]-N-methyloxolan-3-amine

N-[2-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]oxypropyl]-N-methyloxolan-3-amine (PubChem CID 170626439) has the molecular formula C15H25NO2 and a molecular weight of 251.37 g/mol. Its IUPAC name is N-[2-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]oxypropyl]-N-methyloxolan-3-amine.

Molecular Properties

Compound NameN-[2-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]oxypropyl]-N-methyloxolan-3-amine
PubChem CID170626439
Molecular FormulaC15H25NO2
Molecular Weight251.37 g/mol
Exact Mass251.19
IUPAC NameN-[2-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]oxypropyl]-N-methyloxolan-3-amine
SMILESC=C(/C=C\C=C/C)OC(C)CN(C)C1CCOC1
InChIInChI=1S/C15H25NO2/c1-5-6-7-8-13(2)18-14(3)11-16(4)15-9-10-17-12-15/h5-8,14-15H,2,9-12H2,1,3-4H3/b6-5-,8-7-
InChIKeyHUNJZYHUWFZMIZ-ISTTXYCBSA-N
XLogP2.76
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]oxypropyl]-N-methyloxolan-3-amine?
The IUPAC name of N-[2-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]oxypropyl]-N-methyloxolan-3-amine (CID 170626439) is N-[2-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]oxypropyl]-N-methyloxolan-3-amine.
What is the SMILES notation for N-[2-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]oxypropyl]-N-methyloxolan-3-amine?
The canonical SMILES for N-[2-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]oxypropyl]-N-methyloxolan-3-amine is C=C(/C=C\C=C/C)OC(C)CN(C)C1CCOC1.
What is the InChIKey of N-[2-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]oxypropyl]-N-methyloxolan-3-amine?
The InChIKey is HUNJZYHUWFZMIZ-ISTTXYCBSA-N. The full InChI is InChI=1S/C15H25NO2/c1-5-6-7-8-13(2)18-14(3)11-16(4)15-9-10-17-12-15/h5-8,14-15H,2,9-12H2,1,3-4H3/b6-5-,8-7-.
What are the key properties of N-[2-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]oxypropyl]-N-methyloxolan-3-amine?
N-[2-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]oxypropyl]-N-methyloxolan-3-amine has a molecular weight of 251.37 g/mol, XLogP of 2.76, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]oxypropyl]-N-methyloxolan-3-amine is sourced from PubChem (CID 170626439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).