3-amino-N-[[1-(dimethylamino)cyclobutyl]methyl]-2-methylbutanamide

C12H25N3O — CID 105417065

IUPAC3-amino-N-[[1-(dimethylamino)cyclobutyl]methyl]-2-methylbutanamide
SMILESCC(N)C(C)C(=O)NCC1(N(C)C)CCC1
InChIInChI=1S/C12H25N3O/c1-9(10(2)13)11(16)14-8-12(15(3)4)6-5-7-12/h9-10H,5-8,13H2,1-4H3,(H,14,16)
InChIKeyLVQUQRAHTJUTBI-UHFFFAOYSA-N
MW227.35 g/mol
LogP0.57
Rot. Bonds5

About 3-amino-N-[[1-(dimethylamino)cyclobutyl]methyl]-2-methylbutanamide

3-amino-N-[[1-(dimethylamino)cyclobutyl]methyl]-2-methylbutanamide (PubChem CID 105417065) has the molecular formula C12H25N3O and a molecular weight of 227.35 g/mol. Its IUPAC name is 3-amino-N-[[1-(dimethylamino)cyclobutyl]methyl]-2-methylbutanamide.

Molecular Properties

Compound Name3-amino-N-[[1-(dimethylamino)cyclobutyl]methyl]-2-methylbutanamide
PubChem CID105417065
Molecular FormulaC12H25N3O
Molecular Weight227.35 g/mol
Exact Mass227.20
IUPAC Name3-amino-N-[[1-(dimethylamino)cyclobutyl]methyl]-2-methylbutanamide
SMILESCC(N)C(C)C(=O)NCC1(N(C)C)CCC1
InChIInChI=1S/C12H25N3O/c1-9(10(2)13)11(16)14-8-12(15(3)4)6-5-7-12/h9-10H,5-8,13H2,1-4H3,(H,14,16)
InChIKeyLVQUQRAHTJUTBI-UHFFFAOYSA-N
XLogP0.57
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[1-(dimethylamino)cyclobutyl]methylamino]-2,3-dimethyl-4-oxobutanoic acid
CID 103499360
(2S,3S)-2-amino-N-[[1-(dimethylamino)cyclobutyl]methyl]-3-methylpentanamide
CID 105417156
(2S)-2-amino-N-[[1-(dimethylamino)cyclobutyl]methyl]-3,3-dimethylbutanamide
CID 105417333
N-[[1-(dimethylamino)cyclobutyl]methyl]-2-methoxypropanamide
CID 105420622
N-[[1-(dimethylamino)cyclobutyl]methyl]-2,2-difluoroacetamide
CID 103516127
N-[[1-(dimethylamino)cyclopentyl]methyl]-2-sulfanylpropanamide
CID 107034071
1-[[1-(dimethylamino)cyclobutyl]methyl]-3-propan-2-ylurea
CID 105408997
2-amino-N-[[1-(dimethylamino)cyclohexyl]methyl]-3-methylpentanamide
CID 61248438
3-amino-2-methyl-N-[(1-methylcyclohexyl)methyl]butanamide
CID 103581061
2-cyano-N-[[1-(dimethylamino)cyclopentyl]methyl]propanamide
CID 78996361
3-amino-N-[[1-(dimethylamino)cycloheptyl]methyl]butanamide
CID 119834021
1-amino-N-[[1-(dimethylamino)cyclopentyl]methyl]cyclobutane-1-carboxamide
CID 83111018

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[[1-(dimethylamino)cyclobutyl]methyl]-2-methylbutanamide?
The IUPAC name of 3-amino-N-[[1-(dimethylamino)cyclobutyl]methyl]-2-methylbutanamide (CID 105417065) is 3-amino-N-[[1-(dimethylamino)cyclobutyl]methyl]-2-methylbutanamide.
What is the SMILES notation for 3-amino-N-[[1-(dimethylamino)cyclobutyl]methyl]-2-methylbutanamide?
The canonical SMILES for 3-amino-N-[[1-(dimethylamino)cyclobutyl]methyl]-2-methylbutanamide is CC(N)C(C)C(=O)NCC1(N(C)C)CCC1.
What is the InChIKey of 3-amino-N-[[1-(dimethylamino)cyclobutyl]methyl]-2-methylbutanamide?
The InChIKey is LVQUQRAHTJUTBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O/c1-9(10(2)13)11(16)14-8-12(15(3)4)6-5-7-12/h9-10H,5-8,13H2,1-4H3,(H,14,16).
What are the key properties of 3-amino-N-[[1-(dimethylamino)cyclobutyl]methyl]-2-methylbutanamide?
3-amino-N-[[1-(dimethylamino)cyclobutyl]methyl]-2-methylbutanamide has a molecular weight of 227.35 g/mol, XLogP of 0.57, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[[1-(dimethylamino)cyclobutyl]methyl]-2-methylbutanamide is sourced from PubChem (CID 105417065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).