2,2-dimethyl-3-(3-phenylpropylamino)cyclobutan-1-ol

C15H23NO — CID 112633261

IUPAC2,2-dimethyl-3-(3-phenylpropylamino)cyclobutan-1-ol
SMILESCC1(C)C(O)CC1NCCCc1ccccc1
InChIInChI=1S/C15H23NO/c1-15(2)13(11-14(15)17)16-10-6-9-12-7-4-3-5-8-12/h3-5,7-8,13-14,16-17H,6,9-11H2,1-2H3
InChIKeyHXMGNOOQKKHRFS-UHFFFAOYSA-N
MW233.35 g/mol
LogP2.37
Rot. Bonds5

About 2,2-dimethyl-3-(3-phenylpropylamino)cyclobutan-1-ol

2,2-dimethyl-3-(3-phenylpropylamino)cyclobutan-1-ol (PubChem CID 112633261) has the molecular formula C15H23NO and a molecular weight of 233.35 g/mol. Its IUPAC name is 2,2-dimethyl-3-(3-phenylpropylamino)cyclobutan-1-ol.

Molecular Properties

Compound Name2,2-dimethyl-3-(3-phenylpropylamino)cyclobutan-1-ol
PubChem CID112633261
Molecular FormulaC15H23NO
Molecular Weight233.35 g/mol
Exact Mass233.18
IUPAC Name2,2-dimethyl-3-(3-phenylpropylamino)cyclobutan-1-ol
SMILESCC1(C)C(O)CC1NCCCc1ccccc1
InChIInChI=1S/C15H23NO/c1-15(2)13(11-14(15)17)16-10-6-9-12-7-4-3-5-8-12/h3-5,7-8,13-14,16-17H,6,9-11H2,1-2H3
InChIKeyHXMGNOOQKKHRFS-UHFFFAOYSA-N
XLogP2.37
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.35
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,2-dimethyl-3-(4-phenylbutan-2-ylamino)cyclobutan-1-ol
CID 112633301
2,2-dimethyl-N-(3-phenylpropyl)cyclopentan-1-amine
CID 79864655
3-[(2,2-difluoro-2-phenylethyl)amino]-2,2-dimethylcyclobutan-1-ol
CID 114629614
2,2-dimethyl-3-[2-(4-nitrophenyl)ethylamino]cyclobutan-1-ol
CID 112633872
(1S,2S,3S,5R)-2,6,6-trimethyl-N-(3-phenylpropyl)bicyclo[3.1.1]heptan-3-amine
CID 141314175
3-(4-hydroxypentylamino)-2,2-dimethylcyclobutan-1-ol
CID 107270162
3-[[2-(dimethylamino)-2-phenylethyl]amino]-2,2-dimethylcyclobutan-1-ol
CID 112633243
3-(hex-5-ynylamino)-2,2-dimethylcyclobutan-1-ol
CID 103952197
2-(3-phenylpropylamino)cyclohexan-1-ol
CID 45358268
2,2-dimethyl-3-(5-methylsulfanylpentylamino)cyclobutan-1-ol
CID 104926456
3-ethoxy-N-(3-phenylpropyl)spiro[3.4]octan-1-amine
CID 64864412
2,2-dimethyl-3-(4-propylanilino)cyclobutan-1-ol
CID 112633298

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-(3-phenylpropylamino)cyclobutan-1-ol?
The IUPAC name of 2,2-dimethyl-3-(3-phenylpropylamino)cyclobutan-1-ol (CID 112633261) is 2,2-dimethyl-3-(3-phenylpropylamino)cyclobutan-1-ol.
What is the SMILES notation for 2,2-dimethyl-3-(3-phenylpropylamino)cyclobutan-1-ol?
The canonical SMILES for 2,2-dimethyl-3-(3-phenylpropylamino)cyclobutan-1-ol is CC1(C)C(O)CC1NCCCc1ccccc1.
What is the InChIKey of 2,2-dimethyl-3-(3-phenylpropylamino)cyclobutan-1-ol?
The InChIKey is HXMGNOOQKKHRFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c1-15(2)13(11-14(15)17)16-10-6-9-12-7-4-3-5-8-12/h3-5,7-8,13-14,16-17H,6,9-11H2,1-2H3.
What are the key properties of 2,2-dimethyl-3-(3-phenylpropylamino)cyclobutan-1-ol?
2,2-dimethyl-3-(3-phenylpropylamino)cyclobutan-1-ol has a molecular weight of 233.35 g/mol, XLogP of 2.37, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-(3-phenylpropylamino)cyclobutan-1-ol is sourced from PubChem (CID 112633261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).