propan-2-yl 2-[[1-(dimethylamino)cyclobutyl]methylamino]acetate

C12H24N2O2 — CID 105416997

IUPACpropan-2-yl 2-[[1-(dimethylamino)cyclobutyl]methylamino]acetate
SMILESCC(C)OC(=O)CNCC1(N(C)C)CCC1
InChIInChI=1S/C12H24N2O2/c1-10(2)16-11(15)8-13-9-12(14(3)4)6-5-7-12/h10,13H,5-9H2,1-4H3
InChIKeyFDSVVGHAMYTPDI-UHFFFAOYSA-N
MW228.34 g/mol
LogP1.01
Rot. Bonds6

About propan-2-yl 2-[[1-(dimethylamino)cyclobutyl]methylamino]acetate

propan-2-yl 2-[[1-(dimethylamino)cyclobutyl]methylamino]acetate (PubChem CID 105416997) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is propan-2-yl 2-[[1-(dimethylamino)cyclobutyl]methylamino]acetate.

Molecular Properties

Compound Namepropan-2-yl 2-[[1-(dimethylamino)cyclobutyl]methylamino]acetate
PubChem CID105416997
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Namepropan-2-yl 2-[[1-(dimethylamino)cyclobutyl]methylamino]acetate
SMILESCC(C)OC(=O)CNCC1(N(C)C)CCC1
InChIInChI=1S/C12H24N2O2/c1-10(2)16-11(15)8-13-9-12(14(3)4)6-5-7-12/h10,13H,5-9H2,1-4H3
InChIKeyFDSVVGHAMYTPDI-UHFFFAOYSA-N
XLogP1.01
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 2-[[1-(dimethylamino)cyclobutyl]methylamino]acetate
CID 105416864
N-carbamoyl-2-[[1-(dimethylamino)cyclopentyl]methylamino]acetamide
CID 78915468
1-(azepan-1-yl)-2-[[1-(dimethylamino)cyclopentyl]methylamino]ethanone
CID 78915392
1-[[1-(dimethylamino)cyclobutyl]methyl]-3-propan-2-ylurea
CID 105408997
N-[[1-(dimethylamino)cyclobutyl]methyl]-2-methoxypropanamide
CID 105420622
2-[[1-(dimethylamino)cyclobutyl]methylamino]-N,N-dimethylpropanamide
CID 105416686
N-tert-butyl-2-[[1-(dimethylamino)cyclobutyl]methylamino]propanamide
CID 105416383
N-cyclopropyl-2-[[1-(dimethylamino)cyclopentyl]methylamino]acetamide
CID 78915425
propan-2-yl 2-[(3-methoxyoxolan-3-yl)methylamino]acetate
CID 104760743
3-[[1-(dimethylamino)cyclobutyl]methylamino]propanoic acid
CID 105416372
1-[(2-bromoprop-2-enylamino)methyl]-N,N-dimethylcyclopentan-1-amine
CID 83121523
N,N-dimethyl-1-[(2-methylidenebutylamino)methyl]cyclobutan-1-amine
CID 105416854

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 2-[[1-(dimethylamino)cyclobutyl]methylamino]acetate?
The IUPAC name of propan-2-yl 2-[[1-(dimethylamino)cyclobutyl]methylamino]acetate (CID 105416997) is propan-2-yl 2-[[1-(dimethylamino)cyclobutyl]methylamino]acetate.
What is the SMILES notation for propan-2-yl 2-[[1-(dimethylamino)cyclobutyl]methylamino]acetate?
The canonical SMILES for propan-2-yl 2-[[1-(dimethylamino)cyclobutyl]methylamino]acetate is CC(C)OC(=O)CNCC1(N(C)C)CCC1.
What is the InChIKey of propan-2-yl 2-[[1-(dimethylamino)cyclobutyl]methylamino]acetate?
The InChIKey is FDSVVGHAMYTPDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-10(2)16-11(15)8-13-9-12(14(3)4)6-5-7-12/h10,13H,5-9H2,1-4H3.
What are the key properties of propan-2-yl 2-[[1-(dimethylamino)cyclobutyl]methylamino]acetate?
propan-2-yl 2-[[1-(dimethylamino)cyclobutyl]methylamino]acetate has a molecular weight of 228.34 g/mol, XLogP of 1.01, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 2-[[1-(dimethylamino)cyclobutyl]methylamino]acetate is sourced from PubChem (CID 105416997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).