4-[[bis(2-hydroxy-2-prop-2-enylpent-4-enyl)amino]methyl]hepta-1,6-dien-4-ol

C24H39NO3 — CID 87823364

IUPAC4-[[bis(2-hydroxy-2-prop-2-enylpent-4-enyl)amino]methyl]hepta-1,6-dien-4-ol
SMILESC=CCC(O)(CC=C)CN(CC(O)(CC=C)CC=C)CC(O)(CC=C)CC=C
InChIInChI=1S/C24H39NO3/c1-7-13-22(26,14-8-2)19-25(20-23(27,15-9-3)16-10-4)21-24(28,17-11-5)18-12-6/h7-12,26-28H,1-6,13-21H2
InChIKeyUSHJMLSRDUXHON-UHFFFAOYSA-N
MW389.58 g/mol
LogP3.94
Rot. Bonds18

About 4-[[bis(2-hydroxy-2-prop-2-enylpent-4-enyl)amino]methyl]hepta-1,6-dien-4-ol

4-[[bis(2-hydroxy-2-prop-2-enylpent-4-enyl)amino]methyl]hepta-1,6-dien-4-ol (PubChem CID 87823364) has the molecular formula C24H39NO3 and a molecular weight of 389.58 g/mol. Its IUPAC name is 4-[[bis(2-hydroxy-2-prop-2-enylpent-4-enyl)amino]methyl]hepta-1,6-dien-4-ol.

Molecular Properties

Compound Name4-[[bis(2-hydroxy-2-prop-2-enylpent-4-enyl)amino]methyl]hepta-1,6-dien-4-ol
PubChem CID87823364
Molecular FormulaC24H39NO3
Molecular Weight389.58 g/mol
Exact Mass389.29
IUPAC Name4-[[bis(2-hydroxy-2-prop-2-enylpent-4-enyl)amino]methyl]hepta-1,6-dien-4-ol
SMILESC=CCC(O)(CC=C)CN(CC(O)(CC=C)CC=C)CC(O)(CC=C)CC=C
InChIInChI=1S/C24H39NO3/c1-7-13-22(26,14-8-2)19-25(20-23(27,15-9-3)16-10-4)21-24(28,17-11-5)18-12-6/h7-12,26-28H,1-6,13-21H2
InChIKeyUSHJMLSRDUXHON-UHFFFAOYSA-N
XLogP3.94
TPSA63.93 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds18
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.58
LogP ≤ 53.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[[bis(2-hydroxy-2-prop-2-enylpent-4-enyl)amino]methyl]hepta-1,6-dien-4-ol?
The IUPAC name of 4-[[bis(2-hydroxy-2-prop-2-enylpent-4-enyl)amino]methyl]hepta-1,6-dien-4-ol (CID 87823364) is 4-[[bis(2-hydroxy-2-prop-2-enylpent-4-enyl)amino]methyl]hepta-1,6-dien-4-ol.
What is the SMILES notation for 4-[[bis(2-hydroxy-2-prop-2-enylpent-4-enyl)amino]methyl]hepta-1,6-dien-4-ol?
The canonical SMILES for 4-[[bis(2-hydroxy-2-prop-2-enylpent-4-enyl)amino]methyl]hepta-1,6-dien-4-ol is C=CCC(O)(CC=C)CN(CC(O)(CC=C)CC=C)CC(O)(CC=C)CC=C.
What is the InChIKey of 4-[[bis(2-hydroxy-2-prop-2-enylpent-4-enyl)amino]methyl]hepta-1,6-dien-4-ol?
The InChIKey is USHJMLSRDUXHON-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H39NO3/c1-7-13-22(26,14-8-2)19-25(20-23(27,15-9-3)16-10-4)21-24(28,17-11-5)18-12-6/h7-12,26-28H,1-6,13-21H2.
What are the key properties of 4-[[bis(2-hydroxy-2-prop-2-enylpent-4-enyl)amino]methyl]hepta-1,6-dien-4-ol?
4-[[bis(2-hydroxy-2-prop-2-enylpent-4-enyl)amino]methyl]hepta-1,6-dien-4-ol has a molecular weight of 389.58 g/mol, XLogP of 3.94, 18 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[bis(2-hydroxy-2-prop-2-enylpent-4-enyl)amino]methyl]hepta-1,6-dien-4-ol is sourced from PubChem (CID 87823364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).