tert-butyl N-(2,3,3-trimethylbutylamino)carbamate

C12H26N2O2 — CID 130506890

IUPACtert-butyl N-(2,3,3-trimethylbutylamino)carbamate
SMILESCC(CNNC(=O)OC(C)(C)C)C(C)(C)C
InChIInChI=1S/C12H26N2O2/c1-9(11(2,3)4)8-13-14-10(15)16-12(5,6)7/h9,13H,8H2,1-7H3,(H,14,15)
InChIKeyDLXICQJDZXNJGY-UHFFFAOYSA-N
MW230.35 g/mol
LogP2.70
Rot. Bonds3

About tert-butyl N-(2,3,3-trimethylbutylamino)carbamate

tert-butyl N-(2,3,3-trimethylbutylamino)carbamate (PubChem CID 130506890) has the molecular formula C12H26N2O2 and a molecular weight of 230.35 g/mol. Its IUPAC name is tert-butyl N-(2,3,3-trimethylbutylamino)carbamate.

Molecular Properties

Compound Nametert-butyl N-(2,3,3-trimethylbutylamino)carbamate
PubChem CID130506890
Molecular FormulaC12H26N2O2
Molecular Weight230.35 g/mol
Exact Mass230.20
IUPAC Nametert-butyl N-(2,3,3-trimethylbutylamino)carbamate
SMILESCC(CNNC(=O)OC(C)(C)C)C(C)(C)C
InChIInChI=1S/C12H26N2O2/c1-9(11(2,3)4)8-13-14-10(15)16-12(5,6)7/h9,13H,8H2,1-7H3,(H,14,15)
InChIKeyDLXICQJDZXNJGY-UHFFFAOYSA-N
XLogP2.70
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-[1-oxo-1-(2,3,3-trimethylbutylamino)propan-2-yl]carbamate
CID 78966459
tert-butyl N-(prop-2-enylamino)carbamate
CID 11240753
tert-butyl N-(2-amino-3-methylbutyl)carbamate
CID 71437538
tert-butyl N-(2-methylpentan-3-ylamino)carbamate
CID 107237291
tert-butyl N-(2-methoxyethylamino)carbamate
CID 87253859
tert-butyl N-(cyclopropylmethylamino)carbamate
CID 67491579
tert-butyl N-[(2R)-3-hydroxy-2,3-dimethylbutyl]carbamate
CID 87400882
tert-butyl (3R)-3,4,4-trimethylpentanoate
CID 89006070
tert-butyl N-[(2S)-2-fluoro-3-methylbutyl]carbamate
CID 144625472
tert-butyl N-[(2R)-3-methyl-1-sulfanylbutan-2-yl]carbamate
CID 87477260
tert-butyl N-(1-aminopropan-2-ylamino)carbamate
CID 107237265
tert-butyl N-[(2R)-3-methylbutan-2-yl]carbamate
CID 11014358

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(2,3,3-trimethylbutylamino)carbamate?
The IUPAC name of tert-butyl N-(2,3,3-trimethylbutylamino)carbamate (CID 130506890) is tert-butyl N-(2,3,3-trimethylbutylamino)carbamate.
What is the SMILES notation for tert-butyl N-(2,3,3-trimethylbutylamino)carbamate?
The canonical SMILES for tert-butyl N-(2,3,3-trimethylbutylamino)carbamate is CC(CNNC(=O)OC(C)(C)C)C(C)(C)C.
What is the InChIKey of tert-butyl N-(2,3,3-trimethylbutylamino)carbamate?
The InChIKey is DLXICQJDZXNJGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O2/c1-9(11(2,3)4)8-13-14-10(15)16-12(5,6)7/h9,13H,8H2,1-7H3,(H,14,15).
What are the key properties of tert-butyl N-(2,3,3-trimethylbutylamino)carbamate?
tert-butyl N-(2,3,3-trimethylbutylamino)carbamate has a molecular weight of 230.35 g/mol, XLogP of 2.70, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(2,3,3-trimethylbutylamino)carbamate is sourced from PubChem (CID 130506890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).