cis-(1S,3R)-3-ethoxy-2,2-dimethyl-1-[[(1-methylpyrrol-2-yl)methylamino]methyl]cyclobutan-1-ol

C15H26N2O2 — CID 99826718

IUPACcis-(1S,3R)-3-ethoxy-2,2-dimethyl-1-[[(1-methylpyrrol-2-yl)methylamino]methyl]cyclobutan-1-ol
SMILESCCO[C@@H]1C[C@@](O)(CNCc2cccn2C)C1(C)C
InChIInChI=1S/C15H26N2O2/c1-5-19-13-9-15(18,14(13,2)3)11-16-10-12-7-6-8-17(12)4/h6-8,13,16,18H,5,9-11H2,1-4H3/t13-,15-/m1/s1
InChIKeyCDGNSLZGWHPMLF-UKRRQHHQSA-N
MW266.38 g/mol
LogP1.68
Rot. Bonds6

About cis-(1S,3R)-3-ethoxy-2,2-dimethyl-1-[[(1-methylpyrrol-2-yl)methylamino]methyl]cyclobutan-1-ol

cis-(1S,3R)-3-ethoxy-2,2-dimethyl-1-[[(1-methylpyrrol-2-yl)methylamino]methyl]cyclobutan-1-ol (PubChem CID 99826718) has the molecular formula C15H26N2O2 and a molecular weight of 266.38 g/mol. Its IUPAC name is cis-(1S,3R)-3-ethoxy-2,2-dimethyl-1-[[(1-methylpyrrol-2-yl)methylamino]methyl]cyclobutan-1-ol.

Molecular Properties

Compound Namecis-(1S,3R)-3-ethoxy-2,2-dimethyl-1-[[(1-methylpyrrol-2-yl)methylamino]methyl]cyclobutan-1-ol
PubChem CID99826718
Molecular FormulaC15H26N2O2
Molecular Weight266.38 g/mol
Exact Mass266.20
IUPAC Namecis-(1S,3R)-3-ethoxy-2,2-dimethyl-1-[[(1-methylpyrrol-2-yl)methylamino]methyl]cyclobutan-1-ol
SMILESCCO[C@@H]1C[C@@](O)(CNCc2cccn2C)C1(C)C
InChIInChI=1S/C15H26N2O2/c1-5-19-13-9-15(18,14(13,2)3)11-16-10-12-7-6-8-17(12)4/h6-8,13,16,18H,5,9-11H2,1-4H3/t13-,15-/m1/s1
InChIKeyCDGNSLZGWHPMLF-UKRRQHHQSA-N
XLogP1.68
TPSA46.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.38
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze cis-(1S,3R)-3-ethoxy-2,2-dimethyl-1-[[(1-methylpyrrol-2-yl)methylamino]methyl]cyclobutan-1-ol with MolForge

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Related Compounds

cis-(1R,3S)-3-ethoxy-1-[(imidazo[1,2-a]pyridin-3-ylmethylamino)methyl]-2,2-dimethylcyclobutan-1-ol
CID 99826775
3-ethoxy-2,2-dimethyl-1-[(thiophen-2-ylmethylamino)methyl]cyclobutan-1-ol
CID 91652073
2-[[[(1R,3R)-3-ethoxy-1-hydroxy-2,2-dimethylcyclobutyl]methylamino]methyl]-4-fluorophenol
CID 124619964
3-ethoxy-2,2-dimethyl-N-[(1-methylpyrrol-2-yl)methyl]cyclobutan-1-amine
CID 113239738
4-ethyl-1-[[(1-methylpyrrol-2-yl)methylamino]methyl]cyclohexan-1-ol
CID 65116465
2-methyl-3-[[(1-methylpyrrol-2-yl)methylamino]methyl]oxolan-3-ol
CID 107268488
4-[[(1-methylpyrrol-2-yl)methylamino]methyl]cyclohexan-1-ol
CID 106126325
N-[[(1R,3R)-3-ethoxy-1-hydroxy-2,2-dimethylcyclobutyl]methyl]pyridine-4-carboxamide
CID 99834377
1-(3-ethoxyspiro[3.4]octan-1-yl)-2-methyl-3-[(1-methylpyrrol-2-yl)methyl]guanidine
CID 119155597
1-[[(3-chloro-4-pyridinyl)amino]methyl]-3-ethoxy-2,2-dimethylcyclobutan-1-ol
CID 166205556
N-[(3-ethoxy-1-hydroxy-2,2-dimethylcyclobutyl)methyl]-2-methylpropanamide
CID 91662550
N-[(1-methylpyrrol-2-yl)methyl]propan-1-amine;hydrochloride
CID 17293409

Frequently Asked Questions

What is the IUPAC name of cis-(1S,3R)-3-ethoxy-2,2-dimethyl-1-[[(1-methylpyrrol-2-yl)methylamino]methyl]cyclobutan-1-ol?
The IUPAC name of cis-(1S,3R)-3-ethoxy-2,2-dimethyl-1-[[(1-methylpyrrol-2-yl)methylamino]methyl]cyclobutan-1-ol (CID 99826718) is cis-(1S,3R)-3-ethoxy-2,2-dimethyl-1-[[(1-methylpyrrol-2-yl)methylamino]methyl]cyclobutan-1-ol.
What is the SMILES notation for cis-(1S,3R)-3-ethoxy-2,2-dimethyl-1-[[(1-methylpyrrol-2-yl)methylamino]methyl]cyclobutan-1-ol?
The canonical SMILES for cis-(1S,3R)-3-ethoxy-2,2-dimethyl-1-[[(1-methylpyrrol-2-yl)methylamino]methyl]cyclobutan-1-ol is CCO[C@@H]1C[C@@](O)(CNCc2cccn2C)C1(C)C.
What is the InChIKey of cis-(1S,3R)-3-ethoxy-2,2-dimethyl-1-[[(1-methylpyrrol-2-yl)methylamino]methyl]cyclobutan-1-ol?
The InChIKey is CDGNSLZGWHPMLF-UKRRQHHQSA-N. The full InChI is InChI=1S/C15H26N2O2/c1-5-19-13-9-15(18,14(13,2)3)11-16-10-12-7-6-8-17(12)4/h6-8,13,16,18H,5,9-11H2,1-4H3/t13-,15-/m1/s1.
What are the key properties of cis-(1S,3R)-3-ethoxy-2,2-dimethyl-1-[[(1-methylpyrrol-2-yl)methylamino]methyl]cyclobutan-1-ol?
cis-(1S,3R)-3-ethoxy-2,2-dimethyl-1-[[(1-methylpyrrol-2-yl)methylamino]methyl]cyclobutan-1-ol has a molecular weight of 266.38 g/mol, XLogP of 1.68, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,3R)-3-ethoxy-2,2-dimethyl-1-[[(1-methylpyrrol-2-yl)methylamino]methyl]cyclobutan-1-ol is sourced from PubChem (CID 99826718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).