2,2-dimethyl-3-[2-(pyrrolidin-1-ylmethyl)anilino]cyclobutan-1-ol

C17H26N2O — CID 115972290

IUPAC2,2-dimethyl-3-[2-(pyrrolidin-1-ylmethyl)anilino]cyclobutan-1-ol
SMILESCC1(C)C(O)CC1Nc1ccccc1CN1CCCC1
InChIInChI=1S/C17H26N2O/c1-17(2)15(11-16(17)20)18-14-8-4-3-7-13(14)12-19-9-5-6-10-19/h3-4,7-8,15-16,18,20H,5-6,9-12H2,1-2H3
InChIKeyZAOQCDFTVXWXSO-UHFFFAOYSA-N
MW274.41 g/mol
LogP2.85
Rot. Bonds4

About 2,2-dimethyl-3-[2-(pyrrolidin-1-ylmethyl)anilino]cyclobutan-1-ol

2,2-dimethyl-3-[2-(pyrrolidin-1-ylmethyl)anilino]cyclobutan-1-ol (PubChem CID 115972290) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is 2,2-dimethyl-3-[2-(pyrrolidin-1-ylmethyl)anilino]cyclobutan-1-ol.

Molecular Properties

Compound Name2,2-dimethyl-3-[2-(pyrrolidin-1-ylmethyl)anilino]cyclobutan-1-ol
PubChem CID115972290
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC Name2,2-dimethyl-3-[2-(pyrrolidin-1-ylmethyl)anilino]cyclobutan-1-ol
SMILESCC1(C)C(O)CC1Nc1ccccc1CN1CCCC1
InChIInChI=1S/C17H26N2O/c1-17(2)15(11-16(17)20)18-14-8-4-3-7-13(14)12-19-9-5-6-10-19/h3-4,7-8,15-16,18,20H,5-6,9-12H2,1-2H3
InChIKeyZAOQCDFTVXWXSO-UHFFFAOYSA-N
XLogP2.85
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[2-[(dimethylamino)methyl]anilino]-2,2-dimethylcyclobutan-1-ol
CID 112633731
4,4-dimethyl-N-[2-(pyrrolidin-1-ylmethyl)phenyl]thian-3-amine
CID 79954962
2-(pyrrolidin-1-ylmethyl)-N-(2,4,4-trimethylcyclopentyl)aniline
CID 106662123
N-[2-(pyrrolidin-1-ylmethyl)phenyl]bicyclo[2.2.1]heptan-2-amine
CID 61308803
1-N-[2-(pyrrolidin-1-ylmethyl)phenyl]cyclohexane-1,3-diamine
CID 79458660
2,2-dimethyl-3-[4-(morpholin-4-ylmethyl)anilino]cyclobutan-1-ol
CID 115972171
3-(2-imidazol-1-ylanilino)-2,2-dimethylcyclobutan-1-ol
CID 112633436
(2S,4S)-4-amino-1-methyl-N-[2-(piperidin-1-ylmethyl)phenyl]pyrrolidine-2-carboxamide
CID 131943076
N-phenyl-2-(piperidin-1-ylmethyl)aniline
CID 162401807
1-(aminomethyl)-N-[2-(pyrrolidin-1-ylmethyl)phenyl]cyclopropane-1-carboxamide
CID 115452618
N-(1-cyclohexylethyl)-2-(pyrrolidin-1-ylmethyl)aniline
CID 43788848
N-(3-methoxy-3-methylbutyl)-2-(pyrrolidin-1-ylmethyl)aniline
CID 102975712

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-[2-(pyrrolidin-1-ylmethyl)anilino]cyclobutan-1-ol?
The IUPAC name of 2,2-dimethyl-3-[2-(pyrrolidin-1-ylmethyl)anilino]cyclobutan-1-ol (CID 115972290) is 2,2-dimethyl-3-[2-(pyrrolidin-1-ylmethyl)anilino]cyclobutan-1-ol.
What is the SMILES notation for 2,2-dimethyl-3-[2-(pyrrolidin-1-ylmethyl)anilino]cyclobutan-1-ol?
The canonical SMILES for 2,2-dimethyl-3-[2-(pyrrolidin-1-ylmethyl)anilino]cyclobutan-1-ol is CC1(C)C(O)CC1Nc1ccccc1CN1CCCC1.
What is the InChIKey of 2,2-dimethyl-3-[2-(pyrrolidin-1-ylmethyl)anilino]cyclobutan-1-ol?
The InChIKey is ZAOQCDFTVXWXSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-17(2)15(11-16(17)20)18-14-8-4-3-7-13(14)12-19-9-5-6-10-19/h3-4,7-8,15-16,18,20H,5-6,9-12H2,1-2H3.
What are the key properties of 2,2-dimethyl-3-[2-(pyrrolidin-1-ylmethyl)anilino]cyclobutan-1-ol?
2,2-dimethyl-3-[2-(pyrrolidin-1-ylmethyl)anilino]cyclobutan-1-ol has a molecular weight of 274.41 g/mol, XLogP of 2.85, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-[2-(pyrrolidin-1-ylmethyl)anilino]cyclobutan-1-ol is sourced from PubChem (CID 115972290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).