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

C12H23NO — CID 130609640

IUPAC4-[(3,3-dimethylcyclobutyl)amino]cyclohexan-1-ol
SMILESCC1(C)CC(NC2CCC(O)CC2)C1
InChIInChI=1S/C12H23NO/c1-12(2)7-10(8-12)13-9-3-5-11(14)6-4-9/h9-11,13-14H,3-8H2,1-2H3
InChIKeyKOVSYZRJYDMHHF-UHFFFAOYSA-N
MW197.32 g/mol
LogP2.07
Rot. Bonds2

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

4-[(3,3-dimethylcyclobutyl)amino]cyclohexan-1-ol (PubChem CID 130609640) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is 4-[(3,3-dimethylcyclobutyl)amino]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[(3,3-dimethylcyclobutyl)amino]cyclohexan-1-ol
PubChem CID130609640
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Name4-[(3,3-dimethylcyclobutyl)amino]cyclohexan-1-ol
SMILESCC1(C)CC(NC2CCC(O)CC2)C1
InChIInChI=1S/C12H23NO/c1-12(2)7-10(8-12)13-9-3-5-11(14)6-4-9/h9-11,13-14H,3-8H2,1-2H3
InChIKeyKOVSYZRJYDMHHF-UHFFFAOYSA-N
XLogP2.07
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[(3,3-dimethylcyclobutyl)amino]cyclohexan-1-ol?
The IUPAC name of 4-[(3,3-dimethylcyclobutyl)amino]cyclohexan-1-ol (CID 130609640) is 4-[(3,3-dimethylcyclobutyl)amino]cyclohexan-1-ol.
What is the SMILES notation for 4-[(3,3-dimethylcyclobutyl)amino]cyclohexan-1-ol?
The canonical SMILES for 4-[(3,3-dimethylcyclobutyl)amino]cyclohexan-1-ol is CC1(C)CC(NC2CCC(O)CC2)C1.
What is the InChIKey of 4-[(3,3-dimethylcyclobutyl)amino]cyclohexan-1-ol?
The InChIKey is KOVSYZRJYDMHHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO/c1-12(2)7-10(8-12)13-9-3-5-11(14)6-4-9/h9-11,13-14H,3-8H2,1-2H3.
What are the key properties of 4-[(3,3-dimethylcyclobutyl)amino]cyclohexan-1-ol?
4-[(3,3-dimethylcyclobutyl)amino]cyclohexan-1-ol has a molecular weight of 197.32 g/mol, XLogP of 2.07, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,3-dimethylcyclobutyl)amino]cyclohexan-1-ol is sourced from PubChem (CID 130609640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).