N-(3-amino-2,2-dimethylcyclobutyl)bicyclo[3.1.0]hexane-6-carboxamide

C13H22N2O — CID 114632374

IUPACN-(3-amino-2,2-dimethylcyclobutyl)bicyclo[3.1.0]hexane-6-carboxamide
SMILESCC1(C)C(N)CC1NC(=O)C1C2CCCC21
InChIInChI=1S/C13H22N2O/c1-13(2)9(14)6-10(13)15-12(16)11-7-4-3-5-8(7)11/h7-11H,3-6,14H2,1-2H3,(H,15,16)
InChIKeyFIGDQEUNRUQLRE-UHFFFAOYSA-N
MW222.33 g/mol
LogP1.27
Rot. Bonds2

About N-(3-amino-2,2-dimethylcyclobutyl)bicyclo[3.1.0]hexane-6-carboxamide

N-(3-amino-2,2-dimethylcyclobutyl)bicyclo[3.1.0]hexane-6-carboxamide (PubChem CID 114632374) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is N-(3-amino-2,2-dimethylcyclobutyl)bicyclo[3.1.0]hexane-6-carboxamide.

Molecular Properties

Compound NameN-(3-amino-2,2-dimethylcyclobutyl)bicyclo[3.1.0]hexane-6-carboxamide
PubChem CID114632374
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC NameN-(3-amino-2,2-dimethylcyclobutyl)bicyclo[3.1.0]hexane-6-carboxamide
SMILESCC1(C)C(N)CC1NC(=O)C1C2CCCC21
InChIInChI=1S/C13H22N2O/c1-13(2)9(14)6-10(13)15-12(16)11-7-4-3-5-8(7)11/h7-11H,3-6,14H2,1-2H3,(H,15,16)
InChIKeyFIGDQEUNRUQLRE-UHFFFAOYSA-N
XLogP1.27
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-hydroxy-2,2-dimethylcyclobutyl)bicyclo[3.1.0]hexane-6-carboxamide
CID 114631386
N-(3-amino-2,2-dimethylcyclobutyl)-2-methylcyclopentane-1-carboxamide
CID 107184778
N-(3-amino-2,2-dimethylcyclobutyl)oxolane-2-carboxamide
CID 114632350
ethyl N-(3-amino-2,2-dimethylcyclobutyl)carbamate
CID 114632504
N-(4-aminocyclohexyl)bicyclo[3.1.0]hexane-6-carboxamide
CID 81478190
2-(bicyclo[4.1.0]heptane-7-carbonylamino)-1-methylcyclohexane-1-carboxylic acid
CID 83214667
2-amino-N-(3-methoxy-2,2-dimethylcyclobutyl)cyclopentane-1-carboxamide
CID 113267245
N-(3-amino-2,2-dimethylcyclobutyl)-2-methylbutanamide
CID 114632383
N-cyclohexylbicyclo[3.1.0]hexane-6-carboxamide
CID 79600191
N-(3-amino-2,2-dimethylcyclobutyl)-4,4,4-trifluorobutanamide
CID 114632369
N-(3-amino-2,2-dimethylcyclobutyl)-3,5-dimethylbenzamide
CID 114632427
N-(1-cyanocyclopentyl)bicyclo[3.1.0]hexane-6-carboxamide
CID 79673742

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2,2-dimethylcyclobutyl)bicyclo[3.1.0]hexane-6-carboxamide?
The IUPAC name of N-(3-amino-2,2-dimethylcyclobutyl)bicyclo[3.1.0]hexane-6-carboxamide (CID 114632374) is N-(3-amino-2,2-dimethylcyclobutyl)bicyclo[3.1.0]hexane-6-carboxamide.
What is the SMILES notation for N-(3-amino-2,2-dimethylcyclobutyl)bicyclo[3.1.0]hexane-6-carboxamide?
The canonical SMILES for N-(3-amino-2,2-dimethylcyclobutyl)bicyclo[3.1.0]hexane-6-carboxamide is CC1(C)C(N)CC1NC(=O)C1C2CCCC21.
What is the InChIKey of N-(3-amino-2,2-dimethylcyclobutyl)bicyclo[3.1.0]hexane-6-carboxamide?
The InChIKey is FIGDQEUNRUQLRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O/c1-13(2)9(14)6-10(13)15-12(16)11-7-4-3-5-8(7)11/h7-11H,3-6,14H2,1-2H3,(H,15,16).
What are the key properties of N-(3-amino-2,2-dimethylcyclobutyl)bicyclo[3.1.0]hexane-6-carboxamide?
N-(3-amino-2,2-dimethylcyclobutyl)bicyclo[3.1.0]hexane-6-carboxamide has a molecular weight of 222.33 g/mol, XLogP of 1.27, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2,2-dimethylcyclobutyl)bicyclo[3.1.0]hexane-6-carboxamide is sourced from PubChem (CID 114632374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).