tert-butyl N-[3-(dimethylamino)-2,2-dimethylpropyl]carbamate

C12H26N2O2 — CID 65142819

IUPACtert-butyl N-[3-(dimethylamino)-2,2-dimethylpropyl]carbamate
SMILESCN(C)CC(C)(C)CNC(=O)OC(C)(C)C
InChIInChI=1S/C12H26N2O2/c1-11(2,3)16-10(15)13-8-12(4,5)9-14(6)7/h8-9H2,1-7H3,(H,13,15)
InChIKeyWWGSNWDFMBYBDW-UHFFFAOYSA-N
MW230.35 g/mol
LogP2.10
Rot. Bonds4

About tert-butyl N-[3-(dimethylamino)-2,2-dimethylpropyl]carbamate

tert-butyl N-[3-(dimethylamino)-2,2-dimethylpropyl]carbamate (PubChem CID 65142819) has the molecular formula C12H26N2O2 and a molecular weight of 230.35 g/mol. Its IUPAC name is tert-butyl N-[3-(dimethylamino)-2,2-dimethylpropyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-(dimethylamino)-2,2-dimethylpropyl]carbamate
PubChem CID65142819
Molecular FormulaC12H26N2O2
Molecular Weight230.35 g/mol
Exact Mass230.20
IUPAC Nametert-butyl N-[3-(dimethylamino)-2,2-dimethylpropyl]carbamate
SMILESCN(C)CC(C)(C)CNC(=O)OC(C)(C)C
InChIInChI=1S/C12H26N2O2/c1-11(2,3)16-10(15)13-8-12(4,5)9-14(6)7/h8-9H2,1-7H3,(H,13,15)
InChIKeyWWGSNWDFMBYBDW-UHFFFAOYSA-N
XLogP2.10
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[3-[(2-chloroacetyl)-methylamino]-2,2-dimethylpropyl]carbamate
CID 135138778
tert-butyl N-[4-[[3,3-dimethyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]-methylamino]-2,2-dimethylbutyl]carbamate
CID 139538581
tert-butyl N-(3-amino-2,2-dimethylpropyl)carbamate
CID 4114359
tert-butyl N-(2-methyl-2-sulfanylpropyl)carbamate
CID 45092056
tert-butyl N-[3-(2-hydroxy-2-methylpropoxy)-2,2-dimethylpropyl]carbamate
CID 123711756
tert-butyl N-(3-ethylsulfanyl-2,2-dimethylpropyl)carbamate
CID 166127236
tert-butyl N-(2-ethyl-2-methylbutyl)carbamate
CID 90843997
tert-butyl N-[2,2-bis(hydroxymethyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]carbamate
CID 12986877
tert-butyl N-[2-methyl-2-[[2-methyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]propan-2-yl]disulfanyl]propyl]carbamate
CID 140880756
methyl N-[3-(methoxycarbonylamino)-2,2-dimethylpropyl]carbamate
CID 2165580
2-amino-N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-methylpropanamide;dihydrochloride
CID 119828440
3-[3-(dimethylamino)-2,2-dimethylpropyl]-1,1-diethylurea
CID 104624160

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-(dimethylamino)-2,2-dimethylpropyl]carbamate?
The IUPAC name of tert-butyl N-[3-(dimethylamino)-2,2-dimethylpropyl]carbamate (CID 65142819) is tert-butyl N-[3-(dimethylamino)-2,2-dimethylpropyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-(dimethylamino)-2,2-dimethylpropyl]carbamate?
The canonical SMILES for tert-butyl N-[3-(dimethylamino)-2,2-dimethylpropyl]carbamate is CN(C)CC(C)(C)CNC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[3-(dimethylamino)-2,2-dimethylpropyl]carbamate?
The InChIKey is WWGSNWDFMBYBDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O2/c1-11(2,3)16-10(15)13-8-12(4,5)9-14(6)7/h8-9H2,1-7H3,(H,13,15).
What are the key properties of tert-butyl N-[3-(dimethylamino)-2,2-dimethylpropyl]carbamate?
tert-butyl N-[3-(dimethylamino)-2,2-dimethylpropyl]carbamate has a molecular weight of 230.35 g/mol, XLogP of 2.10, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-(dimethylamino)-2,2-dimethylpropyl]carbamate is sourced from PubChem (CID 65142819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).