3-(4-hydroxypentylamino)-2,2-dimethylcyclobutan-1-ol

C11H23NO2 — CID 107270162

IUPAC3-(4-hydroxypentylamino)-2,2-dimethylcyclobutan-1-ol
SMILESCC(O)CCCNC1CC(O)C1(C)C
InChIInChI=1S/C11H23NO2/c1-8(13)5-4-6-12-9-7-10(14)11(9,2)3/h8-10,12-14H,4-7H2,1-3H3
InChIKeyTYUXBDWHJICNPG-UHFFFAOYSA-N
MW201.31 g/mol
LogP0.90
Rot. Bonds5

About 3-(4-hydroxypentylamino)-2,2-dimethylcyclobutan-1-ol

3-(4-hydroxypentylamino)-2,2-dimethylcyclobutan-1-ol (PubChem CID 107270162) has the molecular formula C11H23NO2 and a molecular weight of 201.31 g/mol. Its IUPAC name is 3-(4-hydroxypentylamino)-2,2-dimethylcyclobutan-1-ol.

Molecular Properties

Compound Name3-(4-hydroxypentylamino)-2,2-dimethylcyclobutan-1-ol
PubChem CID107270162
Molecular FormulaC11H23NO2
Molecular Weight201.31 g/mol
Exact Mass201.17
IUPAC Name3-(4-hydroxypentylamino)-2,2-dimethylcyclobutan-1-ol
SMILESCC(O)CCCNC1CC(O)C1(C)C
InChIInChI=1S/C11H23NO2/c1-8(13)5-4-6-12-9-7-10(14)11(9,2)3/h8-10,12-14H,4-7H2,1-3H3
InChIKeyTYUXBDWHJICNPG-UHFFFAOYSA-N
XLogP0.90
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 50.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2,2-dimethyl-3-(7-methyloctylamino)cyclobutan-1-ol
CID 112633337
2,2-dimethyl-3-[4-[methyl(propan-2-yl)amino]butylamino]cyclobutan-1-ol
CID 112633951
2,2-dimethyl-3-(2-propan-2-yloxyethylamino)cyclobutan-1-ol
CID 104584797
N-[2-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]ethyl]-2-methylpropanamide
CID 112633271
2,2-dimethyl-3-(5-methylsulfanylpentylamino)cyclobutan-1-ol
CID 104926456
3-(hex-5-ynylamino)-2,2-dimethylcyclobutan-1-ol
CID 103952197
2,2-dimethyl-3-(3-pyrrolidin-1-ylpropylamino)cyclobutan-1-ol
CID 112633285
3-(ethylamino)-2,2-dimethylcyclobutan-1-ol
CID 112633093
3-[2-[butan-2-yl(methyl)amino]ethylamino]-2,2-dimethylcyclobutan-1-ol
CID 103951997
2,2-dimethyl-3-(3-phenylpropylamino)cyclobutan-1-ol
CID 112633261
3-(2-cyclopentylethylamino)-2,2-dimethylcyclobutan-1-ol
CID 112633763
3-[2-(3-methoxypropoxy)ethylamino]-2,2-dimethylcyclobutan-1-ol
CID 103179563

Frequently Asked Questions

What is the IUPAC name of 3-(4-hydroxypentylamino)-2,2-dimethylcyclobutan-1-ol?
The IUPAC name of 3-(4-hydroxypentylamino)-2,2-dimethylcyclobutan-1-ol (CID 107270162) is 3-(4-hydroxypentylamino)-2,2-dimethylcyclobutan-1-ol.
What is the SMILES notation for 3-(4-hydroxypentylamino)-2,2-dimethylcyclobutan-1-ol?
The canonical SMILES for 3-(4-hydroxypentylamino)-2,2-dimethylcyclobutan-1-ol is CC(O)CCCNC1CC(O)C1(C)C.
What is the InChIKey of 3-(4-hydroxypentylamino)-2,2-dimethylcyclobutan-1-ol?
The InChIKey is TYUXBDWHJICNPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO2/c1-8(13)5-4-6-12-9-7-10(14)11(9,2)3/h8-10,12-14H,4-7H2,1-3H3.
What are the key properties of 3-(4-hydroxypentylamino)-2,2-dimethylcyclobutan-1-ol?
3-(4-hydroxypentylamino)-2,2-dimethylcyclobutan-1-ol has a molecular weight of 201.31 g/mol, XLogP of 0.90, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-hydroxypentylamino)-2,2-dimethylcyclobutan-1-ol is sourced from PubChem (CID 107270162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).