(2E)-6-[(3E,5Z)-hepta-1,3,5-trien-3-yl]oxy-N-methylocta-2,7-dien-3-amine

C16H25NO — CID 143328584

IUPAC(2E)-6-[(3E,5Z)-hepta-1,3,5-trien-3-yl]oxy-N-methylocta-2,7-dien-3-amine
SMILESC=C/C(=C\C=C/C)OC(C=C)CC/C(=C\C)NC
InChIInChI=1S/C16H25NO/c1-6-10-11-15(8-3)18-16(9-4)13-12-14(7-2)17-5/h6-11,16-17H,3-4,12-13H2,1-2,5H3/b10-6-,14-7+,15-11+
InChIKeyHAODBCYRRXJDPP-UMXYUYLFSA-N
MW247.38 g/mol
LogP4.11
Rot. Bonds9

About (2E)-6-[(3E,5Z)-hepta-1,3,5-trien-3-yl]oxy-N-methylocta-2,7-dien-3-amine

(2E)-6-[(3E,5Z)-hepta-1,3,5-trien-3-yl]oxy-N-methylocta-2,7-dien-3-amine (PubChem CID 143328584) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is (2E)-6-[(3E,5Z)-hepta-1,3,5-trien-3-yl]oxy-N-methylocta-2,7-dien-3-amine.

Molecular Properties

Compound Name(2E)-6-[(3E,5Z)-hepta-1,3,5-trien-3-yl]oxy-N-methylocta-2,7-dien-3-amine
PubChem CID143328584
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name(2E)-6-[(3E,5Z)-hepta-1,3,5-trien-3-yl]oxy-N-methylocta-2,7-dien-3-amine
SMILESC=C/C(=C\C=C/C)OC(C=C)CC/C(=C\C)NC
InChIInChI=1S/C16H25NO/c1-6-10-11-15(8-3)18-16(9-4)13-12-14(7-2)17-5/h6-11,16-17H,3-4,12-13H2,1-2,5H3/b10-6-,14-7+,15-11+
InChIKeyHAODBCYRRXJDPP-UMXYUYLFSA-N
XLogP4.11
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

ethane;(3E,5Z)-3-propan-2-yloxyhepta-1,3,5-triene
CID 143474027
(3E,5Z)-3-butoxyhepta-1,3,5-triene
CID 142022135
2-[(3E,5Z)-hepta-1,3,5-trien-3-yl]oxyethanamine
CID 167017782
[(2Z,4Z)-2-fluoro-6-[(3E,5Z)-hepta-1,3,5-trien-3-yl]oxy-4-methylhexa-2,4-dien-3-yl]hydrazine
CID 134448608
2-[[(3E,5Z)-hepta-1,3,5-trien-3-yl]oxymethyl]oxirane
CID 89283730
[(3E,5Z)-hepta-1,3,5-trien-3-yl]oxycyclobutane
CID 178055171
(4E,6Z)-4-ethenylocta-4,6-dien-3-one;N-methylmethanamine
CID 143337723
ethane;[(3E,5Z)-hepta-1,3,5-trien-3-yl]oxy-[(3E,5Z)-hepta-1,3,5-trien-4-yl]oxy-methylborane
CID 142048530
(3E,5Z)-N-but-3-en-2-ylhepta-1,3,5-trien-3-amine
CID 126490180
N-[(2E,4Z)-2-[(Z)-prop-1-enyl]hexa-2,4-dienyl]prop-2-enamide
CID 145160973
methyl [(3S)-6-methylhept-1-en-3-yl] carbonate
CID 102073386
(2Z,4E,6Z)-4-(3-methylpentan-2-yloxy)octa-2,4,6-triene
CID 143462641

Frequently Asked Questions

What is the IUPAC name of (2E)-6-[(3E,5Z)-hepta-1,3,5-trien-3-yl]oxy-N-methylocta-2,7-dien-3-amine?
The IUPAC name of (2E)-6-[(3E,5Z)-hepta-1,3,5-trien-3-yl]oxy-N-methylocta-2,7-dien-3-amine (CID 143328584) is (2E)-6-[(3E,5Z)-hepta-1,3,5-trien-3-yl]oxy-N-methylocta-2,7-dien-3-amine.
What is the SMILES notation for (2E)-6-[(3E,5Z)-hepta-1,3,5-trien-3-yl]oxy-N-methylocta-2,7-dien-3-amine?
The canonical SMILES for (2E)-6-[(3E,5Z)-hepta-1,3,5-trien-3-yl]oxy-N-methylocta-2,7-dien-3-amine is C=C/C(=C\C=C/C)OC(C=C)CC/C(=C\C)NC.
What is the InChIKey of (2E)-6-[(3E,5Z)-hepta-1,3,5-trien-3-yl]oxy-N-methylocta-2,7-dien-3-amine?
The InChIKey is HAODBCYRRXJDPP-UMXYUYLFSA-N. The full InChI is InChI=1S/C16H25NO/c1-6-10-11-15(8-3)18-16(9-4)13-12-14(7-2)17-5/h6-11,16-17H,3-4,12-13H2,1-2,5H3/b10-6-,14-7+,15-11+.
What are the key properties of (2E)-6-[(3E,5Z)-hepta-1,3,5-trien-3-yl]oxy-N-methylocta-2,7-dien-3-amine?
(2E)-6-[(3E,5Z)-hepta-1,3,5-trien-3-yl]oxy-N-methylocta-2,7-dien-3-amine has a molecular weight of 247.38 g/mol, XLogP of 4.11, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-6-[(3E,5Z)-hepta-1,3,5-trien-3-yl]oxy-N-methylocta-2,7-dien-3-amine is sourced from PubChem (CID 143328584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).