ethane;2-[(3Z,5Z)-4-propylhepta-1,3,5-trien-2-yl]oxypropan-1-amine

C17H35NO — CID 142368194

IUPACethane;2-[(3Z,5Z)-4-propylhepta-1,3,5-trien-2-yl]oxypropan-1-amine
SMILESC=C(/C=C(\C=C/C)CCC)OC(C)CN.CC.CC
InChIInChI=1S/C13H23NO.2C2H6/c1-5-7-13(8-6-2)9-11(3)15-12(4)10-14;2*1-2/h5,7,9,12H,3,6,8,10,14H2,1-2,4H3;2*1-2H3/b7-5-,13-9+;;
InChIKeySOOKRIHAMAKRJP-QGLCFXBBSA-N
MW269.47 g/mol
LogP5.22
Rot. Bonds7

About ethane;2-[(3Z,5Z)-4-propylhepta-1,3,5-trien-2-yl]oxypropan-1-amine

ethane;2-[(3Z,5Z)-4-propylhepta-1,3,5-trien-2-yl]oxypropan-1-amine (PubChem CID 142368194) has the molecular formula C17H35NO and a molecular weight of 269.47 g/mol. Its IUPAC name is ethane;2-[(3Z,5Z)-4-propylhepta-1,3,5-trien-2-yl]oxypropan-1-amine.

Molecular Properties

Compound Nameethane;2-[(3Z,5Z)-4-propylhepta-1,3,5-trien-2-yl]oxypropan-1-amine
PubChem CID142368194
Molecular FormulaC17H35NO
Molecular Weight269.47 g/mol
Exact Mass269.27
IUPAC Nameethane;2-[(3Z,5Z)-4-propylhepta-1,3,5-trien-2-yl]oxypropan-1-amine
SMILESC=C(/C=C(\C=C/C)CCC)OC(C)CN.CC.CC
InChIInChI=1S/C13H23NO.2C2H6/c1-5-7-13(8-6-2)9-11(3)15-12(4)10-14;2*1-2/h5,7,9,12H,3,6,8,10,14H2,1-2,4H3;2*1-2H3/b7-5-,13-9+;;
InChIKeySOOKRIHAMAKRJP-QGLCFXBBSA-N
XLogP5.22
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500269.47
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 ethane;2-[(3Z,5Z)-4-propylhepta-1,3,5-trien-2-yl]oxypropan-1-amine?
The IUPAC name of ethane;2-[(3Z,5Z)-4-propylhepta-1,3,5-trien-2-yl]oxypropan-1-amine (CID 142368194) is ethane;2-[(3Z,5Z)-4-propylhepta-1,3,5-trien-2-yl]oxypropan-1-amine.
What is the SMILES notation for ethane;2-[(3Z,5Z)-4-propylhepta-1,3,5-trien-2-yl]oxypropan-1-amine?
The canonical SMILES for ethane;2-[(3Z,5Z)-4-propylhepta-1,3,5-trien-2-yl]oxypropan-1-amine is C=C(/C=C(\C=C/C)CCC)OC(C)CN.CC.CC.
What is the InChIKey of ethane;2-[(3Z,5Z)-4-propylhepta-1,3,5-trien-2-yl]oxypropan-1-amine?
The InChIKey is SOOKRIHAMAKRJP-QGLCFXBBSA-N. The full InChI is InChI=1S/C13H23NO.2C2H6/c1-5-7-13(8-6-2)9-11(3)15-12(4)10-14;2*1-2/h5,7,9,12H,3,6,8,10,14H2,1-2,4H3;2*1-2H3/b7-5-,13-9+;;.
What are the key properties of ethane;2-[(3Z,5Z)-4-propylhepta-1,3,5-trien-2-yl]oxypropan-1-amine?
ethane;2-[(3Z,5Z)-4-propylhepta-1,3,5-trien-2-yl]oxypropan-1-amine has a molecular weight of 269.47 g/mol, XLogP of 5.22, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-[(3Z,5Z)-4-propylhepta-1,3,5-trien-2-yl]oxypropan-1-amine is sourced from PubChem (CID 142368194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).