butyl N-(1-amino-2-methyl-1-oxopropan-2-yl)-N-methylcarbamate

C10H20N2O3 — CID 54054182

IUPACbutyl N-(1-amino-2-methyl-1-oxopropan-2-yl)-N-methylcarbamate
SMILESCCCCOC(=O)N(C)C(C)(C)C(N)=O
InChIInChI=1S/C10H20N2O3/c1-5-6-7-15-9(14)12(4)10(2,3)8(11)13/h5-7H2,1-4H3,(H2,11,13)
InChIKeyBSPHDUUOSFGUOM-UHFFFAOYSA-N
MW216.28 g/mol
LogP1.12
Rot. Bonds5

About butyl N-(1-amino-2-methyl-1-oxopropan-2-yl)-N-methylcarbamate

butyl N-(1-amino-2-methyl-1-oxopropan-2-yl)-N-methylcarbamate (PubChem CID 54054182) has the molecular formula C10H20N2O3 and a molecular weight of 216.28 g/mol. Its IUPAC name is butyl N-(1-amino-2-methyl-1-oxopropan-2-yl)-N-methylcarbamate.

Molecular Properties

Compound Namebutyl N-(1-amino-2-methyl-1-oxopropan-2-yl)-N-methylcarbamate
PubChem CID54054182
Molecular FormulaC10H20N2O3
Molecular Weight216.28 g/mol
Exact Mass216.15
IUPAC Namebutyl N-(1-amino-2-methyl-1-oxopropan-2-yl)-N-methylcarbamate
SMILESCCCCOC(=O)N(C)C(C)(C)C(N)=O
InChIInChI=1S/C10H20N2O3/c1-5-6-7-15-9(14)12(4)10(2,3)8(11)13/h5-7H2,1-4H3,(H2,11,13)
InChIKeyBSPHDUUOSFGUOM-UHFFFAOYSA-N
XLogP1.12
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

pentyl N,N-dimethylcarbamate
CID 18534522
butyl N,N-bis(sulfanyl)carbamate;nickel
CID 88645134
heptyl N,N-dimethylcarbamate
CID 91542338
butyl N-amino-N-ethylcarbamate
CID 87167247
dotriacontyl N,N-dimethylcarbamate
CID 175802283
butyl N-[2-(tert-butylamino)ethyl]-N-methylcarbamate
CID 150956577
butyl 2-(dichloroamino)-2-methylpropanoate
CID 149151113
1-O-butyl 3-O-nonyl 2,2-dimethylpropanedioate
CID 91699199
butyl 3-amino-2-carbamoyl-2-hydroxy-3-oxopropanoate
CID 175015726
butyl N-carbamothioyl-N-ethylcarbamate
CID 174602935
butyl carbamate;hydrochloride
CID 88609650
butyl carbamate;hydroiodide
CID 161347358

Frequently Asked Questions

What is the IUPAC name of butyl N-(1-amino-2-methyl-1-oxopropan-2-yl)-N-methylcarbamate?
The IUPAC name of butyl N-(1-amino-2-methyl-1-oxopropan-2-yl)-N-methylcarbamate (CID 54054182) is butyl N-(1-amino-2-methyl-1-oxopropan-2-yl)-N-methylcarbamate.
What is the SMILES notation for butyl N-(1-amino-2-methyl-1-oxopropan-2-yl)-N-methylcarbamate?
The canonical SMILES for butyl N-(1-amino-2-methyl-1-oxopropan-2-yl)-N-methylcarbamate is CCCCOC(=O)N(C)C(C)(C)C(N)=O.
What is the InChIKey of butyl N-(1-amino-2-methyl-1-oxopropan-2-yl)-N-methylcarbamate?
The InChIKey is BSPHDUUOSFGUOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O3/c1-5-6-7-15-9(14)12(4)10(2,3)8(11)13/h5-7H2,1-4H3,(H2,11,13).
What are the key properties of butyl N-(1-amino-2-methyl-1-oxopropan-2-yl)-N-methylcarbamate?
butyl N-(1-amino-2-methyl-1-oxopropan-2-yl)-N-methylcarbamate has a molecular weight of 216.28 g/mol, XLogP of 1.12, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for butyl N-(1-amino-2-methyl-1-oxopropan-2-yl)-N-methylcarbamate is sourced from PubChem (CID 54054182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).