(3E,5Z)-N-[(Z)-1-[(3E,5Z,8E,10E)-dodeca-1,3,5,8,10-pentaen-4-yl]oxypent-3-en-2-yl]-4-methylhepta-1,3,5-trien-3-amine

C25H35NO — CID 142024038

IUPAC(3E,5Z)-N-[(Z)-1-[(3E,5Z,8E,10E)-dodeca-1,3,5,8,10-pentaen-4-yl]oxypent-3-en-2-yl]-4-methylhepta-1,3,5-trien-3-amine
SMILESC=C/C=C(\C=C/C/C=C/C=C/C)OCC(/C=C\C)N/C(C=C)=C(C)/C=C\C
InChIInChI=1S/C25H35NO/c1-7-12-13-14-15-16-20-24(19-10-4)27-21-23(18-9-3)26-25(11-5)22(6)17-8-2/h7-14,16-20,23,26H,4-5,15,21H2,1-3,6H3/b12-7+,14-13+,17-8-,18-9-,20-16-,24-19+,25-22+
InChIKeyNIDUHGZCISTOTB-VAUJLMPWSA-N
MW365.56 g/mol
LogP6.72
Rot. Bonds13

About (3E,5Z)-N-[(Z)-1-[(3E,5Z,8E,10E)-dodeca-1,3,5,8,10-pentaen-4-yl]oxypent-3-en-2-yl]-4-methylhepta-1,3,5-trien-3-amine

(3E,5Z)-N-[(Z)-1-[(3E,5Z,8E,10E)-dodeca-1,3,5,8,10-pentaen-4-yl]oxypent-3-en-2-yl]-4-methylhepta-1,3,5-trien-3-amine (PubChem CID 142024038) has the molecular formula C25H35NO and a molecular weight of 365.56 g/mol. Its IUPAC name is (3E,5Z)-N-[(Z)-1-[(3E,5Z,8E,10E)-dodeca-1,3,5,8,10-pentaen-4-yl]oxypent-3-en-2-yl]-4-methylhepta-1,3,5-trien-3-amine.

Molecular Properties

Compound Name(3E,5Z)-N-[(Z)-1-[(3E,5Z,8E,10E)-dodeca-1,3,5,8,10-pentaen-4-yl]oxypent-3-en-2-yl]-4-methylhepta-1,3,5-trien-3-amine
PubChem CID142024038
Molecular FormulaC25H35NO
Molecular Weight365.56 g/mol
Exact Mass365.27
IUPAC Name(3E,5Z)-N-[(Z)-1-[(3E,5Z,8E,10E)-dodeca-1,3,5,8,10-pentaen-4-yl]oxypent-3-en-2-yl]-4-methylhepta-1,3,5-trien-3-amine
SMILESC=C/C=C(\C=C/C/C=C/C=C/C)OCC(/C=C\C)N/C(C=C)=C(C)/C=C\C
InChIInChI=1S/C25H35NO/c1-7-12-13-14-15-16-20-24(19-10-4)27-21-23(18-9-3)26-25(11-5)22(6)17-8-2/h7-14,16-20,23,26H,4-5,15,21H2,1-3,6H3/b12-7+,14-13+,17-8-,18-9-,20-16-,24-19+,25-22+
InChIKeyNIDUHGZCISTOTB-VAUJLMPWSA-N
XLogP6.72
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.56
LogP ≤ 56.72
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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Frequently Asked Questions

What is the IUPAC name of (3E,5Z)-N-[(Z)-1-[(3E,5Z,8E,10E)-dodeca-1,3,5,8,10-pentaen-4-yl]oxypent-3-en-2-yl]-4-methylhepta-1,3,5-trien-3-amine?
The IUPAC name of (3E,5Z)-N-[(Z)-1-[(3E,5Z,8E,10E)-dodeca-1,3,5,8,10-pentaen-4-yl]oxypent-3-en-2-yl]-4-methylhepta-1,3,5-trien-3-amine (CID 142024038) is (3E,5Z)-N-[(Z)-1-[(3E,5Z,8E,10E)-dodeca-1,3,5,8,10-pentaen-4-yl]oxypent-3-en-2-yl]-4-methylhepta-1,3,5-trien-3-amine.
What is the SMILES notation for (3E,5Z)-N-[(Z)-1-[(3E,5Z,8E,10E)-dodeca-1,3,5,8,10-pentaen-4-yl]oxypent-3-en-2-yl]-4-methylhepta-1,3,5-trien-3-amine?
The canonical SMILES for (3E,5Z)-N-[(Z)-1-[(3E,5Z,8E,10E)-dodeca-1,3,5,8,10-pentaen-4-yl]oxypent-3-en-2-yl]-4-methylhepta-1,3,5-trien-3-amine is C=C/C=C(\C=C/C/C=C/C=C/C)OCC(/C=C\C)N/C(C=C)=C(C)/C=C\C.
What is the InChIKey of (3E,5Z)-N-[(Z)-1-[(3E,5Z,8E,10E)-dodeca-1,3,5,8,10-pentaen-4-yl]oxypent-3-en-2-yl]-4-methylhepta-1,3,5-trien-3-amine?
The InChIKey is NIDUHGZCISTOTB-VAUJLMPWSA-N. The full InChI is InChI=1S/C25H35NO/c1-7-12-13-14-15-16-20-24(19-10-4)27-21-23(18-9-3)26-25(11-5)22(6)17-8-2/h7-14,16-20,23,26H,4-5,15,21H2,1-3,6H3/b12-7+,14-13+,17-8-,18-9-,20-16-,24-19+,25-22+.
What are the key properties of (3E,5Z)-N-[(Z)-1-[(3E,5Z,8E,10E)-dodeca-1,3,5,8,10-pentaen-4-yl]oxypent-3-en-2-yl]-4-methylhepta-1,3,5-trien-3-amine?
(3E,5Z)-N-[(Z)-1-[(3E,5Z,8E,10E)-dodeca-1,3,5,8,10-pentaen-4-yl]oxypent-3-en-2-yl]-4-methylhepta-1,3,5-trien-3-amine has a molecular weight of 365.56 g/mol, XLogP of 6.72, 13 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,5Z)-N-[(Z)-1-[(3E,5Z,8E,10E)-dodeca-1,3,5,8,10-pentaen-4-yl]oxypent-3-en-2-yl]-4-methylhepta-1,3,5-trien-3-amine is sourced from PubChem (CID 142024038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).