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

C13H27N3O — CID 105417719

IUPAC(2R)-2-amino-N-[[1-(dimethylamino)cyclobutyl]methyl]-N,3-dimethylbutanamide
SMILESCC(C)[C@@H](N)C(=O)N(C)CC1(N(C)C)CCC1
InChIInChI=1S/C13H27N3O/c1-10(2)11(14)12(17)16(5)9-13(15(3)4)7-6-8-13/h10-11H,6-9,14H2,1-5H3/t11-/m1/s1
InChIKeyYKCZOYUQVVUQDN-LLVKDONJSA-N
MW241.38 g/mol
LogP0.91
Rot. Bonds5

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

(2R)-2-amino-N-[[1-(dimethylamino)cyclobutyl]methyl]-N,3-dimethylbutanamide (PubChem CID 105417719) has the molecular formula C13H27N3O and a molecular weight of 241.38 g/mol. Its IUPAC name is (2R)-2-amino-N-[[1-(dimethylamino)cyclobutyl]methyl]-N,3-dimethylbutanamide.

Molecular Properties

Compound Name(2R)-2-amino-N-[[1-(dimethylamino)cyclobutyl]methyl]-N,3-dimethylbutanamide
PubChem CID105417719
Molecular FormulaC13H27N3O
Molecular Weight241.38 g/mol
Exact Mass241.22
IUPAC Name(2R)-2-amino-N-[[1-(dimethylamino)cyclobutyl]methyl]-N,3-dimethylbutanamide
SMILESCC(C)[C@@H](N)C(=O)N(C)CC1(N(C)C)CCC1
InChIInChI=1S/C13H27N3O/c1-10(2)11(14)12(17)16(5)9-13(15(3)4)7-6-8-13/h10-11H,6-9,14H2,1-5H3/t11-/m1/s1
InChIKeyYKCZOYUQVVUQDN-LLVKDONJSA-N
XLogP0.91
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.38
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methyl-2-thiophen-2-ylacetamide
CID 105417448
2-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]propanamide
CID 105416404
1-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-3-methylbutan-2-ol
CID 105416413
2-amino-N,3-dimethyl-N-(2-methylpropyl)butanamide
CID 43272154
4-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]pentanehydrazide
CID 105418482
1-carbamothioyl-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methylcyclopentane-1-carboxamide
CID 105418040
(2R)-2-amino-N-(cyclopropylmethyl)-N,3-dimethylbutanamide
CID 79013234
1-[[1-(dimethylamino)cyclobutyl]methyl]-1,2-dimethylguanidine
CID 105418711
7-amino-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methylheptanamide
CID 105417687
methyl 3-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-2-methylpropanoate
CID 105415482
N,N-dimethyl-1-[[methyl(propan-2-yl)amino]methyl]cyclobutan-1-amine
CID 176568551
5-[[[1-(dimethylamino)cyclobutyl]methyl-methylcarbamoyl]amino]hexanoic acid
CID 105419701

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-[[1-(dimethylamino)cyclobutyl]methyl]-N,3-dimethylbutanamide?
The IUPAC name of (2R)-2-amino-N-[[1-(dimethylamino)cyclobutyl]methyl]-N,3-dimethylbutanamide (CID 105417719) is (2R)-2-amino-N-[[1-(dimethylamino)cyclobutyl]methyl]-N,3-dimethylbutanamide.
What is the SMILES notation for (2R)-2-amino-N-[[1-(dimethylamino)cyclobutyl]methyl]-N,3-dimethylbutanamide?
The canonical SMILES for (2R)-2-amino-N-[[1-(dimethylamino)cyclobutyl]methyl]-N,3-dimethylbutanamide is CC(C)[C@@H](N)C(=O)N(C)CC1(N(C)C)CCC1.
What is the InChIKey of (2R)-2-amino-N-[[1-(dimethylamino)cyclobutyl]methyl]-N,3-dimethylbutanamide?
The InChIKey is YKCZOYUQVVUQDN-LLVKDONJSA-N. The full InChI is InChI=1S/C13H27N3O/c1-10(2)11(14)12(17)16(5)9-13(15(3)4)7-6-8-13/h10-11H,6-9,14H2,1-5H3/t11-/m1/s1.
What are the key properties of (2R)-2-amino-N-[[1-(dimethylamino)cyclobutyl]methyl]-N,3-dimethylbutanamide?
(2R)-2-amino-N-[[1-(dimethylamino)cyclobutyl]methyl]-N,3-dimethylbutanamide has a molecular weight of 241.38 g/mol, XLogP of 0.91, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-[[1-(dimethylamino)cyclobutyl]methyl]-N,3-dimethylbutanamide is sourced from PubChem (CID 105417719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).