3-methoxy-2,2-dimethyl-N-(1H-pyrrol-2-ylmethyl)cyclobutan-1-amine

C12H20N2O — CID 103578692

IUPAC3-methoxy-2,2-dimethyl-N-(1H-pyrrol-2-ylmethyl)cyclobutan-1-amine
SMILESCOC1CC(NCc2ccc[nH]2)C1(C)C
InChIInChI=1S/C12H20N2O/c1-12(2)10(7-11(12)15-3)14-8-9-5-4-6-13-9/h4-6,10-11,13-14H,7-8H2,1-3H3
InChIKeySURFZYLNDPUSDO-UHFFFAOYSA-N
MW208.30 g/mol
LogP1.92
Rot. Bonds4

About 3-methoxy-2,2-dimethyl-N-(1H-pyrrol-2-ylmethyl)cyclobutan-1-amine

3-methoxy-2,2-dimethyl-N-(1H-pyrrol-2-ylmethyl)cyclobutan-1-amine (PubChem CID 103578692) has the molecular formula C12H20N2O and a molecular weight of 208.30 g/mol. Its IUPAC name is 3-methoxy-2,2-dimethyl-N-(1H-pyrrol-2-ylmethyl)cyclobutan-1-amine.

Molecular Properties

Compound Name3-methoxy-2,2-dimethyl-N-(1H-pyrrol-2-ylmethyl)cyclobutan-1-amine
PubChem CID103578692
Molecular FormulaC12H20N2O
Molecular Weight208.30 g/mol
Exact Mass208.16
IUPAC Name3-methoxy-2,2-dimethyl-N-(1H-pyrrol-2-ylmethyl)cyclobutan-1-amine
SMILESCOC1CC(NCc2ccc[nH]2)C1(C)C
InChIInChI=1S/C12H20N2O/c1-12(2)10(7-11(12)15-3)14-8-9-5-4-6-13-9/h4-6,10-11,13-14H,7-8H2,1-3H3
InChIKeySURFZYLNDPUSDO-UHFFFAOYSA-N
XLogP1.92
TPSA37.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3-iodophenyl)methyl]-3-methoxy-2,2-dimethylcyclobutan-1-amine
CID 114282912
3-[[(3-methoxy-2,2-dimethylcyclobutyl)amino]methyl]phenol
CID 103743260
2,2-dimethyl-N-(1H-pyrrol-2-ylmethyl)cyclohexan-1-amine
CID 79861656
3-methoxy-2,2-dimethyl-N-(thiophen-3-ylmethyl)cyclobutan-1-amine
CID 103743184
N-[(2-chloro-6-fluorophenyl)methyl]-3-methoxy-2,2-dimethylcyclobutan-1-amine
CID 103743110
3-methoxy-2,2-dimethyl-N-[(2-nitrophenyl)methyl]cyclobutan-1-amine
CID 103743244
6-[[(3-methoxy-2,2-dimethylcyclobutyl)amino]methyl]pyridine-2-carboxylic acid
CID 114119978
N-[[4-(difluoromethoxy)phenyl]methyl]-3-methoxy-2,2-dimethylcyclobutan-1-amine
CID 103743145
3-methoxy-2,2-dimethyl-N-propylcyclobutan-1-amine
CID 66357970
N-[(5-bromothiophen-3-yl)methyl]-3-methoxy-2,2-dimethylcyclobutan-1-amine
CID 103743234
3-methoxy-2,2-dimethyl-N-[(3-methyltriazol-4-yl)methyl]cyclobutan-1-amine
CID 103743269
2,2-dimethyl-3-(2-methylpropoxy)-N-(1H-pyrazol-5-ylmethyl)cyclobutan-1-amine
CID 64723580

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-2,2-dimethyl-N-(1H-pyrrol-2-ylmethyl)cyclobutan-1-amine?
The IUPAC name of 3-methoxy-2,2-dimethyl-N-(1H-pyrrol-2-ylmethyl)cyclobutan-1-amine (CID 103578692) is 3-methoxy-2,2-dimethyl-N-(1H-pyrrol-2-ylmethyl)cyclobutan-1-amine.
What is the SMILES notation for 3-methoxy-2,2-dimethyl-N-(1H-pyrrol-2-ylmethyl)cyclobutan-1-amine?
The canonical SMILES for 3-methoxy-2,2-dimethyl-N-(1H-pyrrol-2-ylmethyl)cyclobutan-1-amine is COC1CC(NCc2ccc[nH]2)C1(C)C.
What is the InChIKey of 3-methoxy-2,2-dimethyl-N-(1H-pyrrol-2-ylmethyl)cyclobutan-1-amine?
The InChIKey is SURFZYLNDPUSDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O/c1-12(2)10(7-11(12)15-3)14-8-9-5-4-6-13-9/h4-6,10-11,13-14H,7-8H2,1-3H3.
What are the key properties of 3-methoxy-2,2-dimethyl-N-(1H-pyrrol-2-ylmethyl)cyclobutan-1-amine?
3-methoxy-2,2-dimethyl-N-(1H-pyrrol-2-ylmethyl)cyclobutan-1-amine has a molecular weight of 208.30 g/mol, XLogP of 1.92, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-2,2-dimethyl-N-(1H-pyrrol-2-ylmethyl)cyclobutan-1-amine is sourced from PubChem (CID 103578692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).