4-[2-[[(Z)-4-cyclohexyl-5-ethyl-7-hydroxyhept-3-enyl]amino]-1-hydroxy-2-methylpropyl]cyclohexan-1-ol

C25H47NO3 — CID 71022072

IUPAC4-[2-[[(Z)-4-cyclohexyl-5-ethyl-7-hydroxyhept-3-enyl]amino]-1-hydroxy-2-methylpropyl]cyclohexan-1-ol
SMILESCCC(CCO)/C(=C\CCNC(C)(C)C(O)C1CCC(O)CC1)C1CCCCC1
InChIInChI=1S/C25H47NO3/c1-4-19(16-18-27)23(20-9-6-5-7-10-20)11-8-17-26-25(2,3)24(29)21-12-14-22(28)15-13-21/h11,19-22,24,26-29H,4-10,12-18H2,1-3H3/b23-11+
InChIKeyJKJXJTGKPGBJGL-FOKLQQMPSA-N
MW409.66 g/mol
LogP4.57
Rot. Bonds11

About 4-[2-[[(Z)-4-cyclohexyl-5-ethyl-7-hydroxyhept-3-enyl]amino]-1-hydroxy-2-methylpropyl]cyclohexan-1-ol

4-[2-[[(Z)-4-cyclohexyl-5-ethyl-7-hydroxyhept-3-enyl]amino]-1-hydroxy-2-methylpropyl]cyclohexan-1-ol (PubChem CID 71022072) has the molecular formula C25H47NO3 and a molecular weight of 409.66 g/mol. Its IUPAC name is 4-[2-[[(Z)-4-cyclohexyl-5-ethyl-7-hydroxyhept-3-enyl]amino]-1-hydroxy-2-methylpropyl]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[2-[[(Z)-4-cyclohexyl-5-ethyl-7-hydroxyhept-3-enyl]amino]-1-hydroxy-2-methylpropyl]cyclohexan-1-ol
PubChem CID71022072
Molecular FormulaC25H47NO3
Molecular Weight409.66 g/mol
Exact Mass409.36
IUPAC Name4-[2-[[(Z)-4-cyclohexyl-5-ethyl-7-hydroxyhept-3-enyl]amino]-1-hydroxy-2-methylpropyl]cyclohexan-1-ol
SMILESCCC(CCO)/C(=C\CCNC(C)(C)C(O)C1CCC(O)CC1)C1CCCCC1
InChIInChI=1S/C25H47NO3/c1-4-19(16-18-27)23(20-9-6-5-7-10-20)11-8-17-26-25(2,3)24(29)21-12-14-22(28)15-13-21/h11,19-22,24,26-29H,4-10,12-18H2,1-3H3/b23-11+
InChIKeyJKJXJTGKPGBJGL-FOKLQQMPSA-N
XLogP4.57
TPSA72.72 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.66
LogP ≤ 54.57
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-[2-[[(Z)-4-cyclohexyl-5-ethyl-7-hydroxyhept-3-enyl]amino]-1-hydroxy-2-methylpropyl]cyclohexan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[2-[[(Z)-4-cyclohexyl-5-ethyl-7-hydroxyhept-3-enyl]amino]-1-hydroxy-2-methylpropyl]cyclohexan-1-ol?
The IUPAC name of 4-[2-[[(Z)-4-cyclohexyl-5-ethyl-7-hydroxyhept-3-enyl]amino]-1-hydroxy-2-methylpropyl]cyclohexan-1-ol (CID 71022072) is 4-[2-[[(Z)-4-cyclohexyl-5-ethyl-7-hydroxyhept-3-enyl]amino]-1-hydroxy-2-methylpropyl]cyclohexan-1-ol.
What is the SMILES notation for 4-[2-[[(Z)-4-cyclohexyl-5-ethyl-7-hydroxyhept-3-enyl]amino]-1-hydroxy-2-methylpropyl]cyclohexan-1-ol?
The canonical SMILES for 4-[2-[[(Z)-4-cyclohexyl-5-ethyl-7-hydroxyhept-3-enyl]amino]-1-hydroxy-2-methylpropyl]cyclohexan-1-ol is CCC(CCO)/C(=C\CCNC(C)(C)C(O)C1CCC(O)CC1)C1CCCCC1.
What is the InChIKey of 4-[2-[[(Z)-4-cyclohexyl-5-ethyl-7-hydroxyhept-3-enyl]amino]-1-hydroxy-2-methylpropyl]cyclohexan-1-ol?
The InChIKey is JKJXJTGKPGBJGL-FOKLQQMPSA-N. The full InChI is InChI=1S/C25H47NO3/c1-4-19(16-18-27)23(20-9-6-5-7-10-20)11-8-17-26-25(2,3)24(29)21-12-14-22(28)15-13-21/h11,19-22,24,26-29H,4-10,12-18H2,1-3H3/b23-11+.
What are the key properties of 4-[2-[[(Z)-4-cyclohexyl-5-ethyl-7-hydroxyhept-3-enyl]amino]-1-hydroxy-2-methylpropyl]cyclohexan-1-ol?
4-[2-[[(Z)-4-cyclohexyl-5-ethyl-7-hydroxyhept-3-enyl]amino]-1-hydroxy-2-methylpropyl]cyclohexan-1-ol has a molecular weight of 409.66 g/mol, XLogP of 4.57, 11 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[[(Z)-4-cyclohexyl-5-ethyl-7-hydroxyhept-3-enyl]amino]-1-hydroxy-2-methylpropyl]cyclohexan-1-ol is sourced from PubChem (CID 71022072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).