N-(3-methoxy-2,2,3-trimethylcyclobutyl)-N'-methylpyrrolidine-1-carboximidamide

C14H27N3O — CID 111756780

IUPACN-(3-methoxy-2,2,3-trimethylcyclobutyl)-N'-methylpyrrolidine-1-carboximidamide
SMILESC/N=C(/NC1CC(C)(OC)C1(C)C)N1CCCC1
InChIInChI=1S/C14H27N3O/c1-13(2)11(10-14(13,3)18-5)16-12(15-4)17-8-6-7-9-17/h11H,6-10H2,1-5H3,(H,15,16)
InChIKeyZUOPHNJFBGDRNX-UHFFFAOYSA-N
MW253.39 g/mol
LogP1.86
Rot. Bonds2

About N-(3-methoxy-2,2,3-trimethylcyclobutyl)-N'-methylpyrrolidine-1-carboximidamide

N-(3-methoxy-2,2,3-trimethylcyclobutyl)-N'-methylpyrrolidine-1-carboximidamide (PubChem CID 111756780) has the molecular formula C14H27N3O and a molecular weight of 253.39 g/mol. Its IUPAC name is N-(3-methoxy-2,2,3-trimethylcyclobutyl)-N'-methylpyrrolidine-1-carboximidamide.

Molecular Properties

Compound NameN-(3-methoxy-2,2,3-trimethylcyclobutyl)-N'-methylpyrrolidine-1-carboximidamide
PubChem CID111756780
Molecular FormulaC14H27N3O
Molecular Weight253.39 g/mol
Exact Mass253.22
IUPAC NameN-(3-methoxy-2,2,3-trimethylcyclobutyl)-N'-methylpyrrolidine-1-carboximidamide
SMILESC/N=C(/NC1CC(C)(OC)C1(C)C)N1CCCC1
InChIInChI=1S/C14H27N3O/c1-13(2)11(10-14(13,3)18-5)16-12(15-4)17-8-6-7-9-17/h11H,6-10H2,1-5H3,(H,15,16)
InChIKeyZUOPHNJFBGDRNX-UHFFFAOYSA-N
XLogP1.86
TPSA36.86 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

4-hydroxy-N-(3-methoxy-2,2,3-trimethylcyclobutyl)-N'-methylpiperidine-1-carboximidamide
CID 119161399
N-(3-methoxy-2,2,3-trimethylcyclobutyl)-N'-methyl-4-(1-methylpyrazol-4-yl)-3-oxopiperazine-1-carboximidamide
CID 109435377
methyl 1-[N-(2,2-dimethylcyclopropyl)-N'-methylcarbamimidoyl]piperidine-4-carboxylate
CID 119131056
N-cyclopropyl-N'-methylpyrrolidine-1-carboximidamide
CID 131225012
1-(dimethylamino)-N-[(1S,3S)-3-methoxy-2,2,3-trimethylcyclobutyl]cyclobutane-1-carboxamide
CID 99578445
2-(dimethylamino)-N-[(1S,3R)-3-methoxy-2,2,3-trimethylcyclobutyl]acetamide
CID 99631339
(2R)-2-[(3-methoxy-2,2,3-trimethylcyclobutyl)amino]propan-1-ol
CID 103825995
(2S)-N-[(1R,3R)-3-methoxy-2,2,3-trimethylcyclobutyl]-2-methylsulfanylpropanamide
CID 95906448
(9S)-N-[(1R,3R)-3-methoxy-2,2,3-trimethylcyclobutyl]-1,4-dioxaspiro[4.4]nonane-9-carboxamide
CID 124854968
(2R)-N-[(1R,3S)-3-methoxy-2,2,3-trimethylcyclobutyl]-2-(2-oxopyrrolidin-1-yl)butanamide
CID 129428982
2-[ethyl-[1-[(3-methoxy-2,2,3-trimethylcyclobutyl)carbamoyl]piperidin-4-yl]amino]acetic acid
CID 122004604
4-imidazol-1-yl-N-[(1S,3R)-3-methoxy-2,2,3-trimethylcyclobutyl]piperidine-1-carboxamide
CID 97021838

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxy-2,2,3-trimethylcyclobutyl)-N'-methylpyrrolidine-1-carboximidamide?
The IUPAC name of N-(3-methoxy-2,2,3-trimethylcyclobutyl)-N'-methylpyrrolidine-1-carboximidamide (CID 111756780) is N-(3-methoxy-2,2,3-trimethylcyclobutyl)-N'-methylpyrrolidine-1-carboximidamide.
What is the SMILES notation for N-(3-methoxy-2,2,3-trimethylcyclobutyl)-N'-methylpyrrolidine-1-carboximidamide?
The canonical SMILES for N-(3-methoxy-2,2,3-trimethylcyclobutyl)-N'-methylpyrrolidine-1-carboximidamide is C/N=C(/NC1CC(C)(OC)C1(C)C)N1CCCC1.
What is the InChIKey of N-(3-methoxy-2,2,3-trimethylcyclobutyl)-N'-methylpyrrolidine-1-carboximidamide?
The InChIKey is ZUOPHNJFBGDRNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O/c1-13(2)11(10-14(13,3)18-5)16-12(15-4)17-8-6-7-9-17/h11H,6-10H2,1-5H3,(H,15,16).
What are the key properties of N-(3-methoxy-2,2,3-trimethylcyclobutyl)-N'-methylpyrrolidine-1-carboximidamide?
N-(3-methoxy-2,2,3-trimethylcyclobutyl)-N'-methylpyrrolidine-1-carboximidamide has a molecular weight of 253.39 g/mol, XLogP of 1.86, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxy-2,2,3-trimethylcyclobutyl)-N'-methylpyrrolidine-1-carboximidamide is sourced from PubChem (CID 111756780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).