4-[[(Z)-5-methylidene-1-[[(Z)-5-methylidene-1-[[(Z)-2-methylidenepent-3-enyl]amino]oct-6-en-4-yl]amino]oct-6-en-4-yl]amino]butan-1-ol

C28H49N3O — CID 122448990

IUPAC4-[[(Z)-5-methylidene-1-[[(Z)-5-methylidene-1-[[(Z)-2-methylidenepent-3-enyl]amino]oct-6-en-4-yl]amino]oct-6-en-4-yl]amino]butan-1-ol
SMILESC=C(/C=C\C)CNCCCC(NCCCC(NCCCCO)C(=C)/C=C\C)C(=C)/C=C\C
InChIInChI=1S/C28H49N3O/c1-7-14-24(4)23-29-19-12-17-27(25(5)15-8-2)31-21-13-18-28(26(6)16-9-3)30-20-10-11-22-32/h7-9,14-16,27-32H,4-6,10-13,17-23H2,1-3H3/b14-7-,15-8-,16-9-
InChIKeyDOINVVQVGMFQTF-FNGKUAQTSA-N
MW443.72 g/mol
LogP5.22
Rot. Bonds21

About 4-[[(Z)-5-methylidene-1-[[(Z)-5-methylidene-1-[[(Z)-2-methylidenepent-3-enyl]amino]oct-6-en-4-yl]amino]oct-6-en-4-yl]amino]butan-1-ol

4-[[(Z)-5-methylidene-1-[[(Z)-5-methylidene-1-[[(Z)-2-methylidenepent-3-enyl]amino]oct-6-en-4-yl]amino]oct-6-en-4-yl]amino]butan-1-ol (PubChem CID 122448990) has the molecular formula C28H49N3O and a molecular weight of 443.72 g/mol. Its IUPAC name is 4-[[(Z)-5-methylidene-1-[[(Z)-5-methylidene-1-[[(Z)-2-methylidenepent-3-enyl]amino]oct-6-en-4-yl]amino]oct-6-en-4-yl]amino]butan-1-ol.

Molecular Properties

Compound Name4-[[(Z)-5-methylidene-1-[[(Z)-5-methylidene-1-[[(Z)-2-methylidenepent-3-enyl]amino]oct-6-en-4-yl]amino]oct-6-en-4-yl]amino]butan-1-ol
PubChem CID122448990
Molecular FormulaC28H49N3O
Molecular Weight443.72 g/mol
Exact Mass443.39
IUPAC Name4-[[(Z)-5-methylidene-1-[[(Z)-5-methylidene-1-[[(Z)-2-methylidenepent-3-enyl]amino]oct-6-en-4-yl]amino]oct-6-en-4-yl]amino]butan-1-ol
SMILESC=C(/C=C\C)CNCCCC(NCCCC(NCCCCO)C(=C)/C=C\C)C(=C)/C=C\C
InChIInChI=1S/C28H49N3O/c1-7-14-24(4)23-29-19-12-17-27(25(5)15-8-2)31-21-13-18-28(26(6)16-9-3)30-20-10-11-22-32/h7-9,14-16,27-32H,4-6,10-13,17-23H2,1-3H3/b14-7-,15-8-,16-9-
InChIKeyDOINVVQVGMFQTF-FNGKUAQTSA-N
XLogP5.22
TPSA56.32 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds21
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.72
LogP ≤ 55.22
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-[[(Z)-5-methylidene-1-[[(Z)-5-methylidene-1-[[(Z)-2-methylidenepent-3-enyl]amino]oct-6-en-4-yl]amino]oct-6-en-4-yl]amino]butan-1-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[[(Z)-5-methylidene-1-[[(Z)-5-methylidene-1-[[(Z)-2-methylidenepent-3-enyl]amino]oct-6-en-4-yl]amino]oct-6-en-4-yl]amino]butan-1-ol?
The IUPAC name of 4-[[(Z)-5-methylidene-1-[[(Z)-5-methylidene-1-[[(Z)-2-methylidenepent-3-enyl]amino]oct-6-en-4-yl]amino]oct-6-en-4-yl]amino]butan-1-ol (CID 122448990) is 4-[[(Z)-5-methylidene-1-[[(Z)-5-methylidene-1-[[(Z)-2-methylidenepent-3-enyl]amino]oct-6-en-4-yl]amino]oct-6-en-4-yl]amino]butan-1-ol.
What is the SMILES notation for 4-[[(Z)-5-methylidene-1-[[(Z)-5-methylidene-1-[[(Z)-2-methylidenepent-3-enyl]amino]oct-6-en-4-yl]amino]oct-6-en-4-yl]amino]butan-1-ol?
The canonical SMILES for 4-[[(Z)-5-methylidene-1-[[(Z)-5-methylidene-1-[[(Z)-2-methylidenepent-3-enyl]amino]oct-6-en-4-yl]amino]oct-6-en-4-yl]amino]butan-1-ol is C=C(/C=C\C)CNCCCC(NCCCC(NCCCCO)C(=C)/C=C\C)C(=C)/C=C\C.
What is the InChIKey of 4-[[(Z)-5-methylidene-1-[[(Z)-5-methylidene-1-[[(Z)-2-methylidenepent-3-enyl]amino]oct-6-en-4-yl]amino]oct-6-en-4-yl]amino]butan-1-ol?
The InChIKey is DOINVVQVGMFQTF-FNGKUAQTSA-N. The full InChI is InChI=1S/C28H49N3O/c1-7-14-24(4)23-29-19-12-17-27(25(5)15-8-2)31-21-13-18-28(26(6)16-9-3)30-20-10-11-22-32/h7-9,14-16,27-32H,4-6,10-13,17-23H2,1-3H3/b14-7-,15-8-,16-9-.
What are the key properties of 4-[[(Z)-5-methylidene-1-[[(Z)-5-methylidene-1-[[(Z)-2-methylidenepent-3-enyl]amino]oct-6-en-4-yl]amino]oct-6-en-4-yl]amino]butan-1-ol?
4-[[(Z)-5-methylidene-1-[[(Z)-5-methylidene-1-[[(Z)-2-methylidenepent-3-enyl]amino]oct-6-en-4-yl]amino]oct-6-en-4-yl]amino]butan-1-ol has a molecular weight of 443.72 g/mol, XLogP of 5.22, 21 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(Z)-5-methylidene-1-[[(Z)-5-methylidene-1-[[(Z)-2-methylidenepent-3-enyl]amino]oct-6-en-4-yl]amino]oct-6-en-4-yl]amino]butan-1-ol is sourced from PubChem (CID 122448990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).