4-[2-[[4-[(E)-2-cyclohexylethenyl]cyclohexyl]amino]propan-2-yl]cyclohexan-1-ol

C23H41NO — CID 143547522

IUPAC4-[2-[[4-[(E)-2-cyclohexylethenyl]cyclohexyl]amino]propan-2-yl]cyclohexan-1-ol
SMILESCC(C)(NC1CCC(/C=C/C2CCCCC2)CC1)C1CCC(O)CC1
InChIInChI=1S/C23H41NO/c1-23(2,20-12-16-22(25)17-13-20)24-21-14-10-19(11-15-21)9-8-18-6-4-3-5-7-18/h8-9,18-22,24-25H,3-7,10-17H2,1-2H3/b9-8+
InChIKeyDHBVHGBAIUZOAD-CMDGGOBGSA-N
MW347.59 g/mol
LogP5.60
Rot. Bonds5

About 4-[2-[[4-[(E)-2-cyclohexylethenyl]cyclohexyl]amino]propan-2-yl]cyclohexan-1-ol

4-[2-[[4-[(E)-2-cyclohexylethenyl]cyclohexyl]amino]propan-2-yl]cyclohexan-1-ol (PubChem CID 143547522) has the molecular formula C23H41NO and a molecular weight of 347.59 g/mol. Its IUPAC name is 4-[2-[[4-[(E)-2-cyclohexylethenyl]cyclohexyl]amino]propan-2-yl]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[2-[[4-[(E)-2-cyclohexylethenyl]cyclohexyl]amino]propan-2-yl]cyclohexan-1-ol
PubChem CID143547522
Molecular FormulaC23H41NO
Molecular Weight347.59 g/mol
Exact Mass347.32
IUPAC Name4-[2-[[4-[(E)-2-cyclohexylethenyl]cyclohexyl]amino]propan-2-yl]cyclohexan-1-ol
SMILESCC(C)(NC1CCC(/C=C/C2CCCCC2)CC1)C1CCC(O)CC1
InChIInChI=1S/C23H41NO/c1-23(2,20-12-16-22(25)17-13-20)24-21-14-10-19(11-15-21)9-8-18-6-4-3-5-7-18/h8-9,18-22,24-25H,3-7,10-17H2,1-2H3/b9-8+
InChIKeyDHBVHGBAIUZOAD-CMDGGOBGSA-N
XLogP5.60
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.59
LogP ≤ 55.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-[2-[[4-[(E)-2-cyclohexylethenyl]cyclohexyl]amino]propan-2-yl]cyclohexan-1-ol with MolForge

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Related Compounds

1-[4-(Cyclopropylmethylamino)cyclohexyl]-2-methyl-3-propylhept-5-en-1-ol
CID 91017496

Frequently Asked Questions

What is the IUPAC name of 4-[2-[[4-[(E)-2-cyclohexylethenyl]cyclohexyl]amino]propan-2-yl]cyclohexan-1-ol?
The IUPAC name of 4-[2-[[4-[(E)-2-cyclohexylethenyl]cyclohexyl]amino]propan-2-yl]cyclohexan-1-ol (CID 143547522) is 4-[2-[[4-[(E)-2-cyclohexylethenyl]cyclohexyl]amino]propan-2-yl]cyclohexan-1-ol.
What is the SMILES notation for 4-[2-[[4-[(E)-2-cyclohexylethenyl]cyclohexyl]amino]propan-2-yl]cyclohexan-1-ol?
The canonical SMILES for 4-[2-[[4-[(E)-2-cyclohexylethenyl]cyclohexyl]amino]propan-2-yl]cyclohexan-1-ol is CC(C)(NC1CCC(/C=C/C2CCCCC2)CC1)C1CCC(O)CC1.
What is the InChIKey of 4-[2-[[4-[(E)-2-cyclohexylethenyl]cyclohexyl]amino]propan-2-yl]cyclohexan-1-ol?
The InChIKey is DHBVHGBAIUZOAD-CMDGGOBGSA-N. The full InChI is InChI=1S/C23H41NO/c1-23(2,20-12-16-22(25)17-13-20)24-21-14-10-19(11-15-21)9-8-18-6-4-3-5-7-18/h8-9,18-22,24-25H,3-7,10-17H2,1-2H3/b9-8+.
What are the key properties of 4-[2-[[4-[(E)-2-cyclohexylethenyl]cyclohexyl]amino]propan-2-yl]cyclohexan-1-ol?
4-[2-[[4-[(E)-2-cyclohexylethenyl]cyclohexyl]amino]propan-2-yl]cyclohexan-1-ol has a molecular weight of 347.59 g/mol, XLogP of 5.60, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[[4-[(E)-2-cyclohexylethenyl]cyclohexyl]amino]propan-2-yl]cyclohexan-1-ol is sourced from PubChem (CID 143547522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).