4-[(3,3-dimethylcyclopentyl)amino]cyclohexan-1-ol

C13H25NO — CID 80693267

IUPAC4-[(3,3-dimethylcyclopentyl)amino]cyclohexan-1-ol
SMILESCC1(C)CCC(NC2CCC(O)CC2)C1
InChIInChI=1S/C13H25NO/c1-13(2)8-7-11(9-13)14-10-3-5-12(15)6-4-10/h10-12,14-15H,3-9H2,1-2H3
InChIKeyKYFLWBZQCAGWFA-UHFFFAOYSA-N
MW211.35 g/mol
LogP2.46
Rot. Bonds2

About 4-[(3,3-dimethylcyclopentyl)amino]cyclohexan-1-ol

4-[(3,3-dimethylcyclopentyl)amino]cyclohexan-1-ol (PubChem CID 80693267) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is 4-[(3,3-dimethylcyclopentyl)amino]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[(3,3-dimethylcyclopentyl)amino]cyclohexan-1-ol
PubChem CID80693267
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC Name4-[(3,3-dimethylcyclopentyl)amino]cyclohexan-1-ol
SMILESCC1(C)CCC(NC2CCC(O)CC2)C1
InChIInChI=1S/C13H25NO/c1-13(2)8-7-11(9-13)14-10-3-5-12(15)6-4-10/h10-12,14-15H,3-9H2,1-2H3
InChIKeyKYFLWBZQCAGWFA-UHFFFAOYSA-N
XLogP2.46
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[(3,3-dimethylcyclopentyl)amino]cyclohexan-1-ol?
The IUPAC name of 4-[(3,3-dimethylcyclopentyl)amino]cyclohexan-1-ol (CID 80693267) is 4-[(3,3-dimethylcyclopentyl)amino]cyclohexan-1-ol.
What is the SMILES notation for 4-[(3,3-dimethylcyclopentyl)amino]cyclohexan-1-ol?
The canonical SMILES for 4-[(3,3-dimethylcyclopentyl)amino]cyclohexan-1-ol is CC1(C)CCC(NC2CCC(O)CC2)C1.
What is the InChIKey of 4-[(3,3-dimethylcyclopentyl)amino]cyclohexan-1-ol?
The InChIKey is KYFLWBZQCAGWFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO/c1-13(2)8-7-11(9-13)14-10-3-5-12(15)6-4-10/h10-12,14-15H,3-9H2,1-2H3.
What are the key properties of 4-[(3,3-dimethylcyclopentyl)amino]cyclohexan-1-ol?
4-[(3,3-dimethylcyclopentyl)amino]cyclohexan-1-ol has a molecular weight of 211.35 g/mol, XLogP of 2.46, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,3-dimethylcyclopentyl)amino]cyclohexan-1-ol is sourced from PubChem (CID 80693267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).