2-[(4,4-dimethylcycloheptyl)amino]cyclohexan-1-ol

C15H29NO — CID 65083758

IUPAC2-[(4,4-dimethylcycloheptyl)amino]cyclohexan-1-ol
SMILESCC1(C)CCCC(NC2CCCCC2O)CC1
InChIInChI=1S/C15H29NO/c1-15(2)10-5-6-12(9-11-15)16-13-7-3-4-8-14(13)17/h12-14,16-17H,3-11H2,1-2H3
InChIKeyQIVUTAVGMFWQAI-UHFFFAOYSA-N
MW239.40 g/mol
LogP3.24
Rot. Bonds2

About 2-[(4,4-dimethylcycloheptyl)amino]cyclohexan-1-ol

2-[(4,4-dimethylcycloheptyl)amino]cyclohexan-1-ol (PubChem CID 65083758) has the molecular formula C15H29NO and a molecular weight of 239.40 g/mol. Its IUPAC name is 2-[(4,4-dimethylcycloheptyl)amino]cyclohexan-1-ol.

Molecular Properties

Compound Name2-[(4,4-dimethylcycloheptyl)amino]cyclohexan-1-ol
PubChem CID65083758
Molecular FormulaC15H29NO
Molecular Weight239.40 g/mol
Exact Mass239.22
IUPAC Name2-[(4,4-dimethylcycloheptyl)amino]cyclohexan-1-ol
SMILESCC1(C)CCCC(NC2CCCCC2O)CC1
InChIInChI=1S/C15H29NO/c1-15(2)10-5-6-12(9-11-15)16-13-7-3-4-8-14(13)17/h12-14,16-17H,3-11H2,1-2H3
InChIKeyQIVUTAVGMFWQAI-UHFFFAOYSA-N
XLogP3.24
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.40
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(4,4-dimethylcycloheptyl)amino]cyclohexan-1-ol?
The IUPAC name of 2-[(4,4-dimethylcycloheptyl)amino]cyclohexan-1-ol (CID 65083758) is 2-[(4,4-dimethylcycloheptyl)amino]cyclohexan-1-ol.
What is the SMILES notation for 2-[(4,4-dimethylcycloheptyl)amino]cyclohexan-1-ol?
The canonical SMILES for 2-[(4,4-dimethylcycloheptyl)amino]cyclohexan-1-ol is CC1(C)CCCC(NC2CCCCC2O)CC1.
What is the InChIKey of 2-[(4,4-dimethylcycloheptyl)amino]cyclohexan-1-ol?
The InChIKey is QIVUTAVGMFWQAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO/c1-15(2)10-5-6-12(9-11-15)16-13-7-3-4-8-14(13)17/h12-14,16-17H,3-11H2,1-2H3.
What are the key properties of 2-[(4,4-dimethylcycloheptyl)amino]cyclohexan-1-ol?
2-[(4,4-dimethylcycloheptyl)amino]cyclohexan-1-ol has a molecular weight of 239.40 g/mol, XLogP of 3.24, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4,4-dimethylcycloheptyl)amino]cyclohexan-1-ol is sourced from PubChem (CID 65083758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).