N-[3-(aminomethyl)cyclobutyl]-2,3,3-trimethylbutanamide

C12H24N2O — CID 165469689

IUPACN-[3-(aminomethyl)cyclobutyl]-2,3,3-trimethylbutanamide
SMILESCC(C(=O)NC1CC(CN)C1)C(C)(C)C
InChIInChI=1S/C12H24N2O/c1-8(12(2,3)4)11(15)14-10-5-9(6-10)7-13/h8-10H,5-7,13H2,1-4H3,(H,14,15)
InChIKeyDOUUZBLHMFDVDC-UHFFFAOYSA-N
MW212.34 g/mol
LogP1.52
Rot. Bonds3

About N-[3-(aminomethyl)cyclobutyl]-2,3,3-trimethylbutanamide

N-[3-(aminomethyl)cyclobutyl]-2,3,3-trimethylbutanamide (PubChem CID 165469689) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is N-[3-(aminomethyl)cyclobutyl]-2,3,3-trimethylbutanamide.

Molecular Properties

Compound NameN-[3-(aminomethyl)cyclobutyl]-2,3,3-trimethylbutanamide
PubChem CID165469689
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC NameN-[3-(aminomethyl)cyclobutyl]-2,3,3-trimethylbutanamide
SMILESCC(C(=O)NC1CC(CN)C1)C(C)(C)C
InChIInChI=1S/C12H24N2O/c1-8(12(2,3)4)11(15)14-10-5-9(6-10)7-13/h8-10H,5-7,13H2,1-4H3,(H,14,15)
InChIKeyDOUUZBLHMFDVDC-UHFFFAOYSA-N
XLogP1.52
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(aminomethyl)cyclopentyl]-2,3,3-trimethylbutanamide
CID 119601992
tert-butyl N-[3-(aminomethyl)cyclobutyl]carbamate;hydrochloride
CID 126812095
cis-(1S,3R)-3-(2,3,3-trimethylbutanoylamino)cyclopentane-1-carboxylic acid
CID 120690503
N-[[(1R,3S)-3-aminocyclopentyl]methyl]-2,3,3-trimethylbutanamide
CID 165448067
N-[3-(hydroxymethyl)-6-bicyclo[3.2.0]heptanyl]-2,3,3-trimethylbutanamide
CID 165458492
1-[3-(aminomethyl)pyrrolidin-1-yl]-2,3,3-trimethylbutan-1-one
CID 119484473
(3-ethylcyclobutyl)carbamic acid
CID 89387578
N-(2-amino-2-oxoethyl)-2,3,3-trimethylbutanamide
CID 143641947
tert-butyl N-[(1R,3R)-3-(aminomethyl)cyclohexyl]carbamate
CID 71685847
4-amino-N-(3-amino-5-methylcyclohexyl)-3-fluoro-2-hydroxybutanamide
CID 143974335
N-[3-(aminomethyl)cyclopentyl]-3-methylbut-2-enamide
CID 130935265
2-amino-N-[(3S)-3,4-dimethylcyclopentyl]-3-methylbutanamide
CID 142811143

Frequently Asked Questions

What is the IUPAC name of N-[3-(aminomethyl)cyclobutyl]-2,3,3-trimethylbutanamide?
The IUPAC name of N-[3-(aminomethyl)cyclobutyl]-2,3,3-trimethylbutanamide (CID 165469689) is N-[3-(aminomethyl)cyclobutyl]-2,3,3-trimethylbutanamide.
What is the SMILES notation for N-[3-(aminomethyl)cyclobutyl]-2,3,3-trimethylbutanamide?
The canonical SMILES for N-[3-(aminomethyl)cyclobutyl]-2,3,3-trimethylbutanamide is CC(C(=O)NC1CC(CN)C1)C(C)(C)C.
What is the InChIKey of N-[3-(aminomethyl)cyclobutyl]-2,3,3-trimethylbutanamide?
The InChIKey is DOUUZBLHMFDVDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O/c1-8(12(2,3)4)11(15)14-10-5-9(6-10)7-13/h8-10H,5-7,13H2,1-4H3,(H,14,15).
What are the key properties of N-[3-(aminomethyl)cyclobutyl]-2,3,3-trimethylbutanamide?
N-[3-(aminomethyl)cyclobutyl]-2,3,3-trimethylbutanamide has a molecular weight of 212.34 g/mol, XLogP of 1.52, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(aminomethyl)cyclobutyl]-2,3,3-trimethylbutanamide is sourced from PubChem (CID 165469689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).