2,2-dimethyl-3-(3-pyrrolidin-1-ylpropylamino)cyclobutan-1-ol

C13H26N2O — CID 112633285

IUPAC2,2-dimethyl-3-(3-pyrrolidin-1-ylpropylamino)cyclobutan-1-ol
SMILESCC1(C)C(O)CC1NCCCN1CCCC1
InChIInChI=1S/C13H26N2O/c1-13(2)11(10-12(13)16)14-6-5-9-15-7-3-4-8-15/h11-12,14,16H,3-10H2,1-2H3
InChIKeyOUUYINMKZAUZJA-UHFFFAOYSA-N
MW226.36 g/mol
LogP1.22
Rot. Bonds5

About 2,2-dimethyl-3-(3-pyrrolidin-1-ylpropylamino)cyclobutan-1-ol

2,2-dimethyl-3-(3-pyrrolidin-1-ylpropylamino)cyclobutan-1-ol (PubChem CID 112633285) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is 2,2-dimethyl-3-(3-pyrrolidin-1-ylpropylamino)cyclobutan-1-ol.

Molecular Properties

Compound Name2,2-dimethyl-3-(3-pyrrolidin-1-ylpropylamino)cyclobutan-1-ol
PubChem CID112633285
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC Name2,2-dimethyl-3-(3-pyrrolidin-1-ylpropylamino)cyclobutan-1-ol
SMILESCC1(C)C(O)CC1NCCCN1CCCC1
InChIInChI=1S/C13H26N2O/c1-13(2)11(10-12(13)16)14-6-5-9-15-7-3-4-8-15/h11-12,14,16H,3-10H2,1-2H3
InChIKeyOUUYINMKZAUZJA-UHFFFAOYSA-N
XLogP1.22
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(hex-5-ynylamino)-2,2-dimethylcyclobutan-1-ol
CID 103952197
3-(ethylamino)-2,2-dimethylcyclobutan-1-ol
CID 112633093
3-(4-hydroxypentylamino)-2,2-dimethylcyclobutan-1-ol
CID 107270162
2,2-dimethyl-3-(5-methylsulfanylpentylamino)cyclobutan-1-ol
CID 104926456
3-(2-methoxyethylamino)-2,2-dimethylcyclobutan-1-ol
CID 112633105
2,2-dimethyl-3-(2-piperidin-1-ylpropylamino)cyclobutan-1-ol
CID 112633842
2,2-dimethyl-N-(2-pyrrolidin-1-ylethyl)cyclopropan-1-amine
CID 107911542
2,2-dimethyl-3-[(1-propylazepan-4-yl)amino]cyclobutan-1-ol
CID 114629183
2,2-dimethyl-3-(3-phenylpropylamino)cyclobutan-1-ol
CID 112633261
4,4-dimethyl-N-(3-pyrrolidin-1-ylpropyl)cycloheptan-1-amine
CID 65082868
3-ethoxy-N-(3-piperidin-1-ylpropyl)spiro[3.4]octan-1-amine
CID 64863091
2-(3-pyrrolidin-1-ylpropylamino)cycloheptan-1-ol
CID 55141909

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-(3-pyrrolidin-1-ylpropylamino)cyclobutan-1-ol?
The IUPAC name of 2,2-dimethyl-3-(3-pyrrolidin-1-ylpropylamino)cyclobutan-1-ol (CID 112633285) is 2,2-dimethyl-3-(3-pyrrolidin-1-ylpropylamino)cyclobutan-1-ol.
What is the SMILES notation for 2,2-dimethyl-3-(3-pyrrolidin-1-ylpropylamino)cyclobutan-1-ol?
The canonical SMILES for 2,2-dimethyl-3-(3-pyrrolidin-1-ylpropylamino)cyclobutan-1-ol is CC1(C)C(O)CC1NCCCN1CCCC1.
What is the InChIKey of 2,2-dimethyl-3-(3-pyrrolidin-1-ylpropylamino)cyclobutan-1-ol?
The InChIKey is OUUYINMKZAUZJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-13(2)11(10-12(13)16)14-6-5-9-15-7-3-4-8-15/h11-12,14,16H,3-10H2,1-2H3.
What are the key properties of 2,2-dimethyl-3-(3-pyrrolidin-1-ylpropylamino)cyclobutan-1-ol?
2,2-dimethyl-3-(3-pyrrolidin-1-ylpropylamino)cyclobutan-1-ol has a molecular weight of 226.36 g/mol, XLogP of 1.22, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-(3-pyrrolidin-1-ylpropylamino)cyclobutan-1-ol is sourced from PubChem (CID 112633285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).