(5Z,8Z,11Z,14Z)-N-(furan-3-ylmethyl)icosa-5,8,11,14-tetraen-1-amine

C25H39NO — CID 11057719

IUPAC(5Z,8Z,11Z,14Z)-N-(furan-3-ylmethyl)icosa-5,8,11,14-tetraen-1-amine
SMILESCCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCNCc1ccoc1
InChIInChI=1S/C25H39NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21-26-23-25-20-22-27-24-25/h6-7,9-10,12-13,15-16,20,22,24,26H,2-5,8,11,14,17-19,21,23H2,1H3/b7-6-,10-9-,13-12-,16-15-
InChIKeyRUJDAYLPXBMWEC-DOFZRALJSA-N
MW369.59 g/mol
LogP7.51
Rot. Bonds17

About (5Z,8Z,11Z,14Z)-N-(furan-3-ylmethyl)icosa-5,8,11,14-tetraen-1-amine

(5Z,8Z,11Z,14Z)-N-(furan-3-ylmethyl)icosa-5,8,11,14-tetraen-1-amine (PubChem CID 11057719) has the molecular formula C25H39NO and a molecular weight of 369.59 g/mol. Its IUPAC name is (5Z,8Z,11Z,14Z)-N-(furan-3-ylmethyl)icosa-5,8,11,14-tetraen-1-amine.

Molecular Properties

Compound Name(5Z,8Z,11Z,14Z)-N-(furan-3-ylmethyl)icosa-5,8,11,14-tetraen-1-amine
PubChem CID11057719
Molecular FormulaC25H39NO
Molecular Weight369.59 g/mol
Exact Mass369.30
IUPAC Name(5Z,8Z,11Z,14Z)-N-(furan-3-ylmethyl)icosa-5,8,11,14-tetraen-1-amine
SMILESCCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCNCc1ccoc1
InChIInChI=1S/C25H39NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21-26-23-25-20-22-27-24-25/h6-7,9-10,12-13,15-16,20,22,24,26H,2-5,8,11,14,17-19,21,23H2,1H3/b7-6-,10-9-,13-12-,16-15-
InChIKeyRUJDAYLPXBMWEC-DOFZRALJSA-N
XLogP7.51
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds17
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.59
LogP ≤ 57.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5Z,8Z,11Z,14Z)-N-(furan-3-ylmethyl)icosa-5,8,11,14-tetraen-1-amine?
The IUPAC name of (5Z,8Z,11Z,14Z)-N-(furan-3-ylmethyl)icosa-5,8,11,14-tetraen-1-amine (CID 11057719) is (5Z,8Z,11Z,14Z)-N-(furan-3-ylmethyl)icosa-5,8,11,14-tetraen-1-amine.
What is the SMILES notation for (5Z,8Z,11Z,14Z)-N-(furan-3-ylmethyl)icosa-5,8,11,14-tetraen-1-amine?
The canonical SMILES for (5Z,8Z,11Z,14Z)-N-(furan-3-ylmethyl)icosa-5,8,11,14-tetraen-1-amine is CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCNCc1ccoc1.
What is the InChIKey of (5Z,8Z,11Z,14Z)-N-(furan-3-ylmethyl)icosa-5,8,11,14-tetraen-1-amine?
The InChIKey is RUJDAYLPXBMWEC-DOFZRALJSA-N. The full InChI is InChI=1S/C25H39NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21-26-23-25-20-22-27-24-25/h6-7,9-10,12-13,15-16,20,22,24,26H,2-5,8,11,14,17-19,21,23H2,1H3/b7-6-,10-9-,13-12-,16-15-.
What are the key properties of (5Z,8Z,11Z,14Z)-N-(furan-3-ylmethyl)icosa-5,8,11,14-tetraen-1-amine?
(5Z,8Z,11Z,14Z)-N-(furan-3-ylmethyl)icosa-5,8,11,14-tetraen-1-amine has a molecular weight of 369.59 g/mol, XLogP of 7.51, 17 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z,8Z,11Z,14Z)-N-(furan-3-ylmethyl)icosa-5,8,11,14-tetraen-1-amine is sourced from PubChem (CID 11057719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).