1-[[(3-hydroxy-2,2-dimethylcyclobutyl)amino]methyl]cycloheptan-1-ol

C14H27NO2 — CID 112634107

IUPAC1-[[(3-hydroxy-2,2-dimethylcyclobutyl)amino]methyl]cycloheptan-1-ol
SMILESCC1(C)C(O)CC1NCC1(O)CCCCCC1
InChIInChI=1S/C14H27NO2/c1-13(2)11(9-12(13)16)15-10-14(17)7-5-3-4-6-8-14/h11-12,15-17H,3-10H2,1-2H3
InChIKeyOQZYMWHPYQVHKQ-UHFFFAOYSA-N
MW241.37 g/mol
LogP1.82
Rot. Bonds3

About 1-[[(3-hydroxy-2,2-dimethylcyclobutyl)amino]methyl]cycloheptan-1-ol

1-[[(3-hydroxy-2,2-dimethylcyclobutyl)amino]methyl]cycloheptan-1-ol (PubChem CID 112634107) has the molecular formula C14H27NO2 and a molecular weight of 241.37 g/mol. Its IUPAC name is 1-[[(3-hydroxy-2,2-dimethylcyclobutyl)amino]methyl]cycloheptan-1-ol.

Molecular Properties

Compound Name1-[[(3-hydroxy-2,2-dimethylcyclobutyl)amino]methyl]cycloheptan-1-ol
PubChem CID112634107
Molecular FormulaC14H27NO2
Molecular Weight241.37 g/mol
Exact Mass241.20
IUPAC Name1-[[(3-hydroxy-2,2-dimethylcyclobutyl)amino]methyl]cycloheptan-1-ol
SMILESCC1(C)C(O)CC1NCC1(O)CCCCCC1
InChIInChI=1S/C14H27NO2/c1-13(2)11(9-12(13)16)15-10-14(17)7-5-3-4-6-8-14/h11-12,15-17H,3-10H2,1-2H3
InChIKeyOQZYMWHPYQVHKQ-UHFFFAOYSA-N
XLogP1.82
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.37
LogP ≤ 51.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2,2-dimethyl-3-[(1-methylsulfanylcyclopropyl)methylamino]cyclobutan-1-ol
CID 107269896
1-[[(2,2,3,3-tetramethylcyclopropyl)amino]methyl]cycloheptan-1-ol
CID 79357879
1-[[(2,2-dimethylcyclopentyl)amino]methyl]cyclopentan-1-ol
CID 79856985
3-(ethylamino)-2,2-dimethylcyclobutan-1-ol
CID 112633093
3-(hex-5-ynylamino)-2,2-dimethylcyclobutan-1-ol
CID 103952197
1-[(cyclobutylamino)methyl]cycloheptan-1-ol
CID 62416530
1-[(cycloheptylamino)methyl]cycloheptan-1-ol
CID 60710664
1-[[(2,2-dimethyloxan-4-yl)amino]methyl]cyclopentan-1-ol
CID 65105371
1-[[(3-aminocyclobutyl)amino]methyl]cycloheptan-1-ol
CID 80562089
1-[[(4-hydroxycyclohexyl)amino]methyl]cyclohexan-1-ol
CID 103625161
1-[[(3-methylcyclopentyl)amino]methyl]cyclohexan-1-ol
CID 65107657
3-(2-cyclopentylethylamino)-2,2-dimethylcyclobutan-1-ol
CID 112633763

Frequently Asked Questions

What is the IUPAC name of 1-[[(3-hydroxy-2,2-dimethylcyclobutyl)amino]methyl]cycloheptan-1-ol?
The IUPAC name of 1-[[(3-hydroxy-2,2-dimethylcyclobutyl)amino]methyl]cycloheptan-1-ol (CID 112634107) is 1-[[(3-hydroxy-2,2-dimethylcyclobutyl)amino]methyl]cycloheptan-1-ol.
What is the SMILES notation for 1-[[(3-hydroxy-2,2-dimethylcyclobutyl)amino]methyl]cycloheptan-1-ol?
The canonical SMILES for 1-[[(3-hydroxy-2,2-dimethylcyclobutyl)amino]methyl]cycloheptan-1-ol is CC1(C)C(O)CC1NCC1(O)CCCCCC1.
What is the InChIKey of 1-[[(3-hydroxy-2,2-dimethylcyclobutyl)amino]methyl]cycloheptan-1-ol?
The InChIKey is OQZYMWHPYQVHKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO2/c1-13(2)11(9-12(13)16)15-10-14(17)7-5-3-4-6-8-14/h11-12,15-17H,3-10H2,1-2H3.
What are the key properties of 1-[[(3-hydroxy-2,2-dimethylcyclobutyl)amino]methyl]cycloheptan-1-ol?
1-[[(3-hydroxy-2,2-dimethylcyclobutyl)amino]methyl]cycloheptan-1-ol has a molecular weight of 241.37 g/mol, XLogP of 1.82, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(3-hydroxy-2,2-dimethylcyclobutyl)amino]methyl]cycloheptan-1-ol is sourced from PubChem (CID 112634107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).