methyl N-[2,2-dimethyl-3-(methylamino)propyl]carbamate

C8H18N2O2 — CID 115267316

IUPACmethyl N-[2,2-dimethyl-3-(methylamino)propyl]carbamate
SMILESCNCC(C)(C)CNC(=O)OC
InChIInChI=1S/C8H18N2O2/c1-8(2,5-9-3)6-10-7(11)12-4/h9H,5-6H2,1-4H3,(H,10,11)
InChIKeyFLRBVYHNMMWQMJ-UHFFFAOYSA-N
MW174.24 g/mol
LogP0.59
Rot. Bonds4

About methyl N-[2,2-dimethyl-3-(methylamino)propyl]carbamate

methyl N-[2,2-dimethyl-3-(methylamino)propyl]carbamate (PubChem CID 115267316) has the molecular formula C8H18N2O2 and a molecular weight of 174.24 g/mol. Its IUPAC name is methyl N-[2,2-dimethyl-3-(methylamino)propyl]carbamate.

Molecular Properties

Compound Namemethyl N-[2,2-dimethyl-3-(methylamino)propyl]carbamate
PubChem CID115267316
Molecular FormulaC8H18N2O2
Molecular Weight174.24 g/mol
Exact Mass174.14
IUPAC Namemethyl N-[2,2-dimethyl-3-(methylamino)propyl]carbamate
SMILESCNCC(C)(C)CNC(=O)OC
InChIInChI=1S/C8H18N2O2/c1-8(2,5-9-3)6-10-7(11)12-4/h9H,5-6H2,1-4H3,(H,10,11)
InChIKeyFLRBVYHNMMWQMJ-UHFFFAOYSA-N
XLogP0.59
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.24
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

methyl N-[3-(methoxycarbonylamino)-2,2-dimethylpropyl]carbamate
CID 2165580
methyl N-(4-amino-2,2-dimethylbutyl)carbamate
CID 106141188
methyl N-(2,2-difluoropropyl)carbamate
CID 90076527
N-[2,2-dimethyl-3-(methylamino)propyl]-4,4-dimethylpentanamide
CID 115271206
[2,2-dimethyl-3-(methylamino)propyl] N-ethylcarbamate
CID 87800616
tert-butyl N-(3-amino-2,2-dimethylpropyl)carbamate
CID 4114359
1-butyl-3-[2,2-dimethyl-3-(methylamino)propyl]urea
CID 22381505
tert-butyl N-[4-[[3,3-dimethyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]-methylamino]-2,2-dimethylbutyl]carbamate
CID 139538581
N-[2,2-dimethyl-3-(methylamino)propyl]heptanamide
CID 115271233
N-[2,2-dimethyl-3-(methylamino)propyl]-2-phenoxyacetamide
CID 115267300
tert-butyl N-[3-(dimethylamino)-2,2-dimethylpropyl]carbamate
CID 65142819
methyl 2-(methoxycarbonylamino)acetate
CID 14133519

Frequently Asked Questions

What is the IUPAC name of methyl N-[2,2-dimethyl-3-(methylamino)propyl]carbamate?
The IUPAC name of methyl N-[2,2-dimethyl-3-(methylamino)propyl]carbamate (CID 115267316) is methyl N-[2,2-dimethyl-3-(methylamino)propyl]carbamate.
What is the SMILES notation for methyl N-[2,2-dimethyl-3-(methylamino)propyl]carbamate?
The canonical SMILES for methyl N-[2,2-dimethyl-3-(methylamino)propyl]carbamate is CNCC(C)(C)CNC(=O)OC.
What is the InChIKey of methyl N-[2,2-dimethyl-3-(methylamino)propyl]carbamate?
The InChIKey is FLRBVYHNMMWQMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O2/c1-8(2,5-9-3)6-10-7(11)12-4/h9H,5-6H2,1-4H3,(H,10,11).
What are the key properties of methyl N-[2,2-dimethyl-3-(methylamino)propyl]carbamate?
methyl N-[2,2-dimethyl-3-(methylamino)propyl]carbamate has a molecular weight of 174.24 g/mol, XLogP of 0.59, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[2,2-dimethyl-3-(methylamino)propyl]carbamate is sourced from PubChem (CID 115267316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).