4-[(3-hydroxycyclobutyl)methylamino]cyclohexan-1-ol

C11H21NO2 — CID 106594762

IUPAC4-[(3-hydroxycyclobutyl)methylamino]cyclohexan-1-ol
SMILESOC1CCC(NCC2CC(O)C2)CC1
InChIInChI=1S/C11H21NO2/c13-10-3-1-9(2-4-10)12-7-8-5-11(14)6-8/h8-14H,1-7H2
InChIKeyRQKMGJKYFSDJHW-UHFFFAOYSA-N
MW199.29 g/mol
LogP0.65
Rot. Bonds3

About 4-[(3-hydroxycyclobutyl)methylamino]cyclohexan-1-ol

4-[(3-hydroxycyclobutyl)methylamino]cyclohexan-1-ol (PubChem CID 106594762) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is 4-[(3-hydroxycyclobutyl)methylamino]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[(3-hydroxycyclobutyl)methylamino]cyclohexan-1-ol
PubChem CID106594762
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Name4-[(3-hydroxycyclobutyl)methylamino]cyclohexan-1-ol
SMILESOC1CCC(NCC2CC(O)C2)CC1
InChIInChI=1S/C11H21NO2/c13-10-3-1-9(2-4-10)12-7-8-5-11(14)6-8/h8-14H,1-7H2
InChIKeyRQKMGJKYFSDJHW-UHFFFAOYSA-N
XLogP0.65
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 50.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-Methylpropylamino)cyclohexan-1-ol
CID 8024862
4-[(3,3-Difluorocyclobutyl)amino]cyclohexan-1-ol
CID 128366814
4-[(2-Fluoroethyl)amino]cyclohexanol
CID 128366834
4-[(1-Fluorocyclobutyl)methylamino]cyclohexan-1-ol
CID 130617367
4-[(4-Methylpentan-2-YL)amino]cyclohexan-1-OL
CID 43193900
4-(Propylamino)cyclohexan-1-ol
CID 13670659
4-[(Propan-2-yl)amino]cyclohexan-1-ol
CID 15572885
4-[(2-Hydroxyethyl)amino]cyclohexanol
CID 19593989
4-(Ethylamino)cyclohexanol
CID 20134575
4-(Tert-butylamino)cyclohexan-1-ol
CID 20608689
4-(Pentan-3-ylamino)cyclohexan-1-ol
CID 28454262
4-(Pentylamino)cyclohexan-1-ol
CID 28615344

Frequently Asked Questions

What is the IUPAC name of 4-[(3-hydroxycyclobutyl)methylamino]cyclohexan-1-ol?
The IUPAC name of 4-[(3-hydroxycyclobutyl)methylamino]cyclohexan-1-ol (CID 106594762) is 4-[(3-hydroxycyclobutyl)methylamino]cyclohexan-1-ol.
What is the SMILES notation for 4-[(3-hydroxycyclobutyl)methylamino]cyclohexan-1-ol?
The canonical SMILES for 4-[(3-hydroxycyclobutyl)methylamino]cyclohexan-1-ol is OC1CCC(NCC2CC(O)C2)CC1.
What is the InChIKey of 4-[(3-hydroxycyclobutyl)methylamino]cyclohexan-1-ol?
The InChIKey is RQKMGJKYFSDJHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2/c13-10-3-1-9(2-4-10)12-7-8-5-11(14)6-8/h8-14H,1-7H2.
What are the key properties of 4-[(3-hydroxycyclobutyl)methylamino]cyclohexan-1-ol?
4-[(3-hydroxycyclobutyl)methylamino]cyclohexan-1-ol has a molecular weight of 199.29 g/mol, XLogP of 0.65, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-hydroxycyclobutyl)methylamino]cyclohexan-1-ol is sourced from PubChem (CID 106594762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).