3-(cyclododecylamino)-5-phenylcyclohexan-1-ol

C24H39NO — CID 155454677

IUPAC3-(cyclododecylamino)-5-phenylcyclohexan-1-ol
SMILESOC1CC(NC2CCCCCCCCCCC2)CC(c2ccccc2)C1
InChIInChI=1S/C24H39NO/c26-24-18-21(20-13-9-8-10-14-20)17-23(19-24)25-22-15-11-6-4-2-1-3-5-7-12-16-22/h8-10,13-14,21-26H,1-7,11-12,15-19H2
InChIKeyCGLAXDWAONKSRT-UHFFFAOYSA-N
MW357.58 g/mol
LogP5.95
Rot. Bonds3

About 3-(cyclododecylamino)-5-phenylcyclohexan-1-ol

3-(cyclododecylamino)-5-phenylcyclohexan-1-ol (PubChem CID 155454677) has the molecular formula C24H39NO and a molecular weight of 357.58 g/mol. Its IUPAC name is 3-(cyclododecylamino)-5-phenylcyclohexan-1-ol.

Molecular Properties

Compound Name3-(cyclododecylamino)-5-phenylcyclohexan-1-ol
PubChem CID155454677
Molecular FormulaC24H39NO
Molecular Weight357.58 g/mol
Exact Mass357.30
IUPAC Name3-(cyclododecylamino)-5-phenylcyclohexan-1-ol
SMILESOC1CC(NC2CCCCCCCCCCC2)CC(c2ccccc2)C1
InChIInChI=1S/C24H39NO/c26-24-18-21(20-13-9-8-10-14-20)17-23(19-24)25-22-15-11-6-4-2-1-3-5-7-12-16-22/h8-10,13-14,21-26H,1-7,11-12,15-19H2
InChIKeyCGLAXDWAONKSRT-UHFFFAOYSA-N
XLogP5.95
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.58
LogP ≤ 55.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(cyclododecylamino)-5-phenylcyclohexan-1-ol?
The IUPAC name of 3-(cyclododecylamino)-5-phenylcyclohexan-1-ol (CID 155454677) is 3-(cyclododecylamino)-5-phenylcyclohexan-1-ol.
What is the SMILES notation for 3-(cyclododecylamino)-5-phenylcyclohexan-1-ol?
The canonical SMILES for 3-(cyclododecylamino)-5-phenylcyclohexan-1-ol is OC1CC(NC2CCCCCCCCCCC2)CC(c2ccccc2)C1.
What is the InChIKey of 3-(cyclododecylamino)-5-phenylcyclohexan-1-ol?
The InChIKey is CGLAXDWAONKSRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H39NO/c26-24-18-21(20-13-9-8-10-14-20)17-23(19-24)25-22-15-11-6-4-2-1-3-5-7-12-16-22/h8-10,13-14,21-26H,1-7,11-12,15-19H2.
What are the key properties of 3-(cyclododecylamino)-5-phenylcyclohexan-1-ol?
3-(cyclododecylamino)-5-phenylcyclohexan-1-ol has a molecular weight of 357.58 g/mol, XLogP of 5.95, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclododecylamino)-5-phenylcyclohexan-1-ol is sourced from PubChem (CID 155454677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).