4-amino-4-(oxolan-2-ylmethyl)cyclohexan-1-ol

C11H21NO2 — CID 126979079

IUPAC4-amino-4-(oxolan-2-ylmethyl)cyclohexan-1-ol
SMILESNC1(CC2CCCO2)CCC(O)CC1
InChIInChI=1S/C11H21NO2/c12-11(5-3-9(13)4-6-11)8-10-2-1-7-14-10/h9-10,13H,1-8,12H2
InChIKeyYVESZXHUHJPRCH-UHFFFAOYSA-N
MW199.29 g/mol
LogP1.19
Rot. Bonds2

About 4-amino-4-(oxolan-2-ylmethyl)cyclohexan-1-ol

4-amino-4-(oxolan-2-ylmethyl)cyclohexan-1-ol (PubChem CID 126979079) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is 4-amino-4-(oxolan-2-ylmethyl)cyclohexan-1-ol.

Molecular Properties

Compound Name4-amino-4-(oxolan-2-ylmethyl)cyclohexan-1-ol
PubChem CID126979079
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Name4-amino-4-(oxolan-2-ylmethyl)cyclohexan-1-ol
SMILESNC1(CC2CCCO2)CCC(O)CC1
InChIInChI=1S/C11H21NO2/c12-11(5-3-9(13)4-6-11)8-10-2-1-7-14-10/h9-10,13H,1-8,12H2
InChIKeyYVESZXHUHJPRCH-UHFFFAOYSA-N
XLogP1.19
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-amino-4-(oxolan-2-ylmethyl)cyclohexan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-methyl-1-(oxolan-2-ylmethyl)cycloheptan-1-amine
CID 65081188
4-tert-butyl-1-(oxolan-2-ylmethyl)cyclohexan-1-amine
CID 55096392
4-tert-butyl-1-(oxolan-2-ylmethyl)cycloheptan-1-amine
CID 65090010
1-(oxolan-2-ylmethyl)-4-phenylcyclohexan-1-amine
CID 55096105
1-(oxolan-2-ylmethyl)cyclohexan-1-ol
CID 65142760
2-(aminomethyl)-2-(oxolan-2-ylmethyl)cyclohexan-1-ol
CID 65392569
[1-(oxolan-2-ylmethyl)cyclohexyl]methanol
CID 66024131
[1-(oxolan-2-ylmethyl)cyclooctyl]methanamine
CID 80603057
[1-amino-3-(oxolan-2-ylmethylsulfanyl)cyclopentyl]methanol
CID 106497567
1-[2-(oxolan-2-yl)ethyl]-4-(trifluoromethyl)cyclohexan-1-amine
CID 65166942
[(2R)-oxolan-2-yl]methanamine
CID 2734124
1-(oxolan-2-ylmethoxymethyl)cyclohexan-1-amine
CID 64572264

Frequently Asked Questions

What is the IUPAC name of 4-amino-4-(oxolan-2-ylmethyl)cyclohexan-1-ol?
The IUPAC name of 4-amino-4-(oxolan-2-ylmethyl)cyclohexan-1-ol (CID 126979079) is 4-amino-4-(oxolan-2-ylmethyl)cyclohexan-1-ol.
What is the SMILES notation for 4-amino-4-(oxolan-2-ylmethyl)cyclohexan-1-ol?
The canonical SMILES for 4-amino-4-(oxolan-2-ylmethyl)cyclohexan-1-ol is NC1(CC2CCCO2)CCC(O)CC1.
What is the InChIKey of 4-amino-4-(oxolan-2-ylmethyl)cyclohexan-1-ol?
The InChIKey is YVESZXHUHJPRCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2/c12-11(5-3-9(13)4-6-11)8-10-2-1-7-14-10/h9-10,13H,1-8,12H2.
What are the key properties of 4-amino-4-(oxolan-2-ylmethyl)cyclohexan-1-ol?
4-amino-4-(oxolan-2-ylmethyl)cyclohexan-1-ol has a molecular weight of 199.29 g/mol, XLogP of 1.19, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-4-(oxolan-2-ylmethyl)cyclohexan-1-ol is sourced from PubChem (CID 126979079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).