(3Z,5Z)-5-[[bis[3-(dimethylamino)propyl]amino]methyl]-2,2,3,7-tetramethylocta-3,5,7-trien-4-ol

C23H45N3O — CID 130350538

IUPAC(3Z,5Z)-5-[[bis[3-(dimethylamino)propyl]amino]methyl]-2,2,3,7-tetramethylocta-3,5,7-trien-4-ol
SMILESC=C(C)/C=C(CN(CCCN(C)C)CCCN(C)C)\C(O)=C(/C)C(C)(C)C
InChIInChI=1S/C23H45N3O/c1-19(2)17-21(22(27)20(3)23(4,5)6)18-26(15-11-13-24(7)8)16-12-14-25(9)10/h17,27H,1,11-16,18H2,2-10H3/b21-17-,22-20-
InChIKeyOAGXXVQKDMJGMD-VXTJRRPDSA-N
MW379.63 g/mol
LogP4.57
Rot. Bonds12

About (3Z,5Z)-5-[[bis[3-(dimethylamino)propyl]amino]methyl]-2,2,3,7-tetramethylocta-3,5,7-trien-4-ol

(3Z,5Z)-5-[[bis[3-(dimethylamino)propyl]amino]methyl]-2,2,3,7-tetramethylocta-3,5,7-trien-4-ol (PubChem CID 130350538) has the molecular formula C23H45N3O and a molecular weight of 379.63 g/mol. Its IUPAC name is (3Z,5Z)-5-[[bis[3-(dimethylamino)propyl]amino]methyl]-2,2,3,7-tetramethylocta-3,5,7-trien-4-ol.

Molecular Properties

Compound Name(3Z,5Z)-5-[[bis[3-(dimethylamino)propyl]amino]methyl]-2,2,3,7-tetramethylocta-3,5,7-trien-4-ol
PubChem CID130350538
Molecular FormulaC23H45N3O
Molecular Weight379.63 g/mol
Exact Mass379.36
IUPAC Name(3Z,5Z)-5-[[bis[3-(dimethylamino)propyl]amino]methyl]-2,2,3,7-tetramethylocta-3,5,7-trien-4-ol
SMILESC=C(C)/C=C(CN(CCCN(C)C)CCCN(C)C)\C(O)=C(/C)C(C)(C)C
InChIInChI=1S/C23H45N3O/c1-19(2)17-21(22(27)20(3)23(4,5)6)18-26(15-11-13-24(7)8)16-12-14-25(9)10/h17,27H,1,11-16,18H2,2-10H3/b21-17-,22-20-
InChIKeyOAGXXVQKDMJGMD-VXTJRRPDSA-N
XLogP4.57
TPSA29.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.63
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 (3Z,5Z)-5-[[bis[3-(dimethylamino)propyl]amino]methyl]-2,2,3,7-tetramethylocta-3,5,7-trien-4-ol?
The IUPAC name of (3Z,5Z)-5-[[bis[3-(dimethylamino)propyl]amino]methyl]-2,2,3,7-tetramethylocta-3,5,7-trien-4-ol (CID 130350538) is (3Z,5Z)-5-[[bis[3-(dimethylamino)propyl]amino]methyl]-2,2,3,7-tetramethylocta-3,5,7-trien-4-ol.
What is the SMILES notation for (3Z,5Z)-5-[[bis[3-(dimethylamino)propyl]amino]methyl]-2,2,3,7-tetramethylocta-3,5,7-trien-4-ol?
The canonical SMILES for (3Z,5Z)-5-[[bis[3-(dimethylamino)propyl]amino]methyl]-2,2,3,7-tetramethylocta-3,5,7-trien-4-ol is C=C(C)/C=C(CN(CCCN(C)C)CCCN(C)C)\C(O)=C(/C)C(C)(C)C.
What is the InChIKey of (3Z,5Z)-5-[[bis[3-(dimethylamino)propyl]amino]methyl]-2,2,3,7-tetramethylocta-3,5,7-trien-4-ol?
The InChIKey is OAGXXVQKDMJGMD-VXTJRRPDSA-N. The full InChI is InChI=1S/C23H45N3O/c1-19(2)17-21(22(27)20(3)23(4,5)6)18-26(15-11-13-24(7)8)16-12-14-25(9)10/h17,27H,1,11-16,18H2,2-10H3/b21-17-,22-20-.
What are the key properties of (3Z,5Z)-5-[[bis[3-(dimethylamino)propyl]amino]methyl]-2,2,3,7-tetramethylocta-3,5,7-trien-4-ol?
(3Z,5Z)-5-[[bis[3-(dimethylamino)propyl]amino]methyl]-2,2,3,7-tetramethylocta-3,5,7-trien-4-ol has a molecular weight of 379.63 g/mol, XLogP of 4.57, 12 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,5Z)-5-[[bis[3-(dimethylamino)propyl]amino]methyl]-2,2,3,7-tetramethylocta-3,5,7-trien-4-ol is sourced from PubChem (CID 130350538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).