N-[[1-(aminomethyl)cyclobutyl]methyl]-2-ethyl-N-methylbutanamide

C13H26N2O — CID 115267583

IUPACN-[[1-(aminomethyl)cyclobutyl]methyl]-2-ethyl-N-methylbutanamide
SMILESCCC(CC)C(=O)N(C)CC1(CN)CCC1
InChIInChI=1S/C13H26N2O/c1-4-11(5-2)12(16)15(3)10-13(9-14)7-6-8-13/h11H,4-10,14H2,1-3H3
InChIKeySESIOYBHWBCWFA-UHFFFAOYSA-N
MW226.36 g/mol
LogP2.01
Rot. Bonds6

About N-[[1-(aminomethyl)cyclobutyl]methyl]-2-ethyl-N-methylbutanamide

N-[[1-(aminomethyl)cyclobutyl]methyl]-2-ethyl-N-methylbutanamide (PubChem CID 115267583) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is N-[[1-(aminomethyl)cyclobutyl]methyl]-2-ethyl-N-methylbutanamide.

Molecular Properties

Compound NameN-[[1-(aminomethyl)cyclobutyl]methyl]-2-ethyl-N-methylbutanamide
PubChem CID115267583
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC NameN-[[1-(aminomethyl)cyclobutyl]methyl]-2-ethyl-N-methylbutanamide
SMILESCCC(CC)C(=O)N(C)CC1(CN)CCC1
InChIInChI=1S/C13H26N2O/c1-4-11(5-2)12(16)15(3)10-13(9-14)7-6-8-13/h11H,4-10,14H2,1-3H3
InChIKeySESIOYBHWBCWFA-UHFFFAOYSA-N
XLogP2.01
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[[1-(aminomethyl)cyclobutyl]methyl]-2-ethyl-N-methylbutanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[1-(aminomethyl)cyclobutyl]methyl]-N,3-dimethylbutanamide
CID 115267579
N-[[1-(aminomethyl)cyclobutyl]methyl]-N-methylbenzamide
CID 115267586
N-[[1-(aminomethyl)cyclobutyl]methyl]-N-methylpyridine-4-carboxamide
CID 115272186
N-[[1-(aminomethyl)cyclopropyl]methyl]-N-methylcyclopentanecarboxamide
CID 115272653
N-[[1-(aminomethyl)cyclobutyl]methyl]-N,2-dimethylpropan-1-amine
CID 115448846
N-[[1-(aminomethyl)cyclobutyl]methyl]-N-methyl-2-pyridin-4-ylacetamide
CID 115272202
N-[[1-(aminomethyl)cyclobutyl]methyl]-N,5-dimethylfuran-2-carboxamide
CID 115272187
2-[1-(aminomethyl)cyclobutyl]-N-(1-hydroxypropan-2-yl)-N-methylacetamide
CID 104551782
(2R)-2-amino-N-[(1-hydroxycyclopentyl)methyl]-N-methylbutanamide
CID 104985342
2-(aminomethyl)-N-(cyclobutylmethyl)-N-methylbutanamide
CID 62860792
N-[2-(dimethylamino)ethyl]-2-ethyl-N-methylbutanamide
CID 110481330
N-[[1-(aminomethyl)cyclopentyl]methyl]-N-ethylethanamine
CID 62262051

Frequently Asked Questions

What is the IUPAC name of N-[[1-(aminomethyl)cyclobutyl]methyl]-2-ethyl-N-methylbutanamide?
The IUPAC name of N-[[1-(aminomethyl)cyclobutyl]methyl]-2-ethyl-N-methylbutanamide (CID 115267583) is N-[[1-(aminomethyl)cyclobutyl]methyl]-2-ethyl-N-methylbutanamide.
What is the SMILES notation for N-[[1-(aminomethyl)cyclobutyl]methyl]-2-ethyl-N-methylbutanamide?
The canonical SMILES for N-[[1-(aminomethyl)cyclobutyl]methyl]-2-ethyl-N-methylbutanamide is CCC(CC)C(=O)N(C)CC1(CN)CCC1.
What is the InChIKey of N-[[1-(aminomethyl)cyclobutyl]methyl]-2-ethyl-N-methylbutanamide?
The InChIKey is SESIOYBHWBCWFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-4-11(5-2)12(16)15(3)10-13(9-14)7-6-8-13/h11H,4-10,14H2,1-3H3.
What are the key properties of N-[[1-(aminomethyl)cyclobutyl]methyl]-2-ethyl-N-methylbutanamide?
N-[[1-(aminomethyl)cyclobutyl]methyl]-2-ethyl-N-methylbutanamide has a molecular weight of 226.36 g/mol, XLogP of 2.01, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(aminomethyl)cyclobutyl]methyl]-2-ethyl-N-methylbutanamide is sourced from PubChem (CID 115267583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).