(2S)-2-amino-N-[[1-(dimethylamino)cyclobutyl]methyl]-3,3-dimethylbutanamide

C13H27N3O — CID 105417333

IUPAC(2S)-2-amino-N-[[1-(dimethylamino)cyclobutyl]methyl]-3,3-dimethylbutanamide
SMILESCN(C)C1(CNC(=O)[C@@H](N)C(C)(C)C)CCC1
InChIInChI=1S/C13H27N3O/c1-12(2,3)10(14)11(17)15-9-13(16(4)5)7-6-8-13/h10H,6-9,14H2,1-5H3,(H,15,17)/t10-/m1/s1
InChIKeyPZAGYVZUPMQSCQ-SNVBAGLBSA-N
MW241.38 g/mol
LogP0.96
Rot. Bonds4

About (2S)-2-amino-N-[[1-(dimethylamino)cyclobutyl]methyl]-3,3-dimethylbutanamide

(2S)-2-amino-N-[[1-(dimethylamino)cyclobutyl]methyl]-3,3-dimethylbutanamide (PubChem CID 105417333) has the molecular formula C13H27N3O and a molecular weight of 241.38 g/mol. Its IUPAC name is (2S)-2-amino-N-[[1-(dimethylamino)cyclobutyl]methyl]-3,3-dimethylbutanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[[1-(dimethylamino)cyclobutyl]methyl]-3,3-dimethylbutanamide
PubChem CID105417333
Molecular FormulaC13H27N3O
Molecular Weight241.38 g/mol
Exact Mass241.22
IUPAC Name(2S)-2-amino-N-[[1-(dimethylamino)cyclobutyl]methyl]-3,3-dimethylbutanamide
SMILESCN(C)C1(CNC(=O)[C@@H](N)C(C)(C)C)CCC1
InChIInChI=1S/C13H27N3O/c1-12(2,3)10(14)11(17)15-9-13(16(4)5)7-6-8-13/h10H,6-9,14H2,1-5H3,(H,15,17)/t10-/m1/s1
InChIKeyPZAGYVZUPMQSCQ-SNVBAGLBSA-N
XLogP0.96
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.38
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-3,3-dimethylbutanamide
CID 76895695
3-amino-N-[[1-(dimethylamino)cyclobutyl]methyl]-2-methylbutanamide
CID 105417065
N-[[1-(dimethylamino)cyclobutyl]methyl]-2,2-difluoroacetamide
CID 103516127
(2S,3S)-2-amino-N-[[1-(dimethylamino)cyclobutyl]methyl]-3-methylpentanamide
CID 105417156
2-amino-N-[(1-hydroxycyclopentyl)methyl]-3,3-dimethylbutanamide
CID 77210747
N-[[1-(dimethylamino)cyclobutyl]methyl]-2,2-dimethylpropanamide
CID 105420633
N-[[1-(dimethylamino)cyclobutyl]methyl]-2-methoxypropanamide
CID 105420622
2-amino-N-[(1-hydroxycycloheptyl)methyl]-3,3-dimethylbutanamide
CID 77056764
4-[[1-(dimethylamino)cyclobutyl]methylamino]-2,3-dimethyl-4-oxobutanoic acid
CID 103499360
N-[[1-(dimethylamino)cyclopentyl]methyl]-2-sulfanylpropanamide
CID 107034071
3-amino-N-[[1-(dimethylamino)cycloheptyl]methyl]butanamide
CID 119834021
2-amino-N-[[1-(dimethylamino)cyclohexyl]methyl]-3-methylpentanamide
CID 61248438

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[[1-(dimethylamino)cyclobutyl]methyl]-3,3-dimethylbutanamide?
The IUPAC name of (2S)-2-amino-N-[[1-(dimethylamino)cyclobutyl]methyl]-3,3-dimethylbutanamide (CID 105417333) is (2S)-2-amino-N-[[1-(dimethylamino)cyclobutyl]methyl]-3,3-dimethylbutanamide.
What is the SMILES notation for (2S)-2-amino-N-[[1-(dimethylamino)cyclobutyl]methyl]-3,3-dimethylbutanamide?
The canonical SMILES for (2S)-2-amino-N-[[1-(dimethylamino)cyclobutyl]methyl]-3,3-dimethylbutanamide is CN(C)C1(CNC(=O)[C@@H](N)C(C)(C)C)CCC1.
What is the InChIKey of (2S)-2-amino-N-[[1-(dimethylamino)cyclobutyl]methyl]-3,3-dimethylbutanamide?
The InChIKey is PZAGYVZUPMQSCQ-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H27N3O/c1-12(2,3)10(14)11(17)15-9-13(16(4)5)7-6-8-13/h10H,6-9,14H2,1-5H3,(H,15,17)/t10-/m1/s1.
What are the key properties of (2S)-2-amino-N-[[1-(dimethylamino)cyclobutyl]methyl]-3,3-dimethylbutanamide?
(2S)-2-amino-N-[[1-(dimethylamino)cyclobutyl]methyl]-3,3-dimethylbutanamide has a molecular weight of 241.38 g/mol, XLogP of 0.96, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[[1-(dimethylamino)cyclobutyl]methyl]-3,3-dimethylbutanamide is sourced from PubChem (CID 105417333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).