tert-butyl N-[2-(2,2,3-trimethylbutylamino)ethyl]carbamate

C14H30N2O2 — CID 102610042

IUPACtert-butyl N-[2-(2,2,3-trimethylbutylamino)ethyl]carbamate
SMILESCC(C)C(C)(C)CNCCNC(=O)OC(C)(C)C
InChIInChI=1S/C14H30N2O2/c1-11(2)14(6,7)10-15-8-9-16-12(17)18-13(3,4)5/h11,15H,8-10H2,1-7H3,(H,16,17)
InChIKeyPESVCRULBNOPMY-UHFFFAOYSA-N
MW258.41 g/mol
LogP2.78
Rot. Bonds6

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

tert-butyl N-[2-(2,2,3-trimethylbutylamino)ethyl]carbamate (PubChem CID 102610042) has the molecular formula C14H30N2O2 and a molecular weight of 258.41 g/mol. Its IUPAC name is tert-butyl N-[2-(2,2,3-trimethylbutylamino)ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-(2,2,3-trimethylbutylamino)ethyl]carbamate
PubChem CID102610042
Molecular FormulaC14H30N2O2
Molecular Weight258.41 g/mol
Exact Mass258.23
IUPAC Nametert-butyl N-[2-(2,2,3-trimethylbutylamino)ethyl]carbamate
SMILESCC(C)C(C)(C)CNCCNC(=O)OC(C)(C)C
InChIInChI=1S/C14H30N2O2/c1-11(2)14(6,7)10-15-8-9-16-12(17)18-13(3,4)5/h11,15H,8-10H2,1-7H3,(H,16,17)
InChIKeyPESVCRULBNOPMY-UHFFFAOYSA-N
XLogP2.78
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.41
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze tert-butyl N-[2-(2,2,3-trimethylbutylamino)ethyl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl N-[2-(3-hydroxybutylamino)ethyl]carbamate
CID 115628927
tert-butyl N-[2-[[(2R)-2-hydroxypropanoyl]amino]ethyl]carbamate
CID 134128297
tert-butyl N-[2-(propylamino)ethyl]carbamate
CID 14925149
tert-butyl N-[2-(propan-2-ylamino)ethyl]carbamate
CID 16743802
[2-methyl-1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylamino]-3-oxopropan-2-yl] acetate
CID 118210622
tert-butyl N-[4-methyl-3,3-bis[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]pentyl]carbamate
CID 155196466
tert-butyl N-[2-(2-bromoprop-2-enylamino)ethyl]carbamate
CID 115614738
tert-butyl N-[2-[[(2R)-1-hydroxypropan-2-yl]amino]ethyl]carbamate
CID 114985484
tert-butyl N-[2-(but-2-ynylamino)ethyl]carbamate
CID 115866342
tert-butyl N-[2-(3-methylbutylcarbamoylamino)ethyl]carbamate
CID 108864561
tert-butyl N-[3-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propylamino]propyl]carbamate
CID 10404463
tert-butyl N-[2-(octadecylamino)ethyl]carbamate
CID 168851346

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-(2,2,3-trimethylbutylamino)ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-(2,2,3-trimethylbutylamino)ethyl]carbamate (CID 102610042) is tert-butyl N-[2-(2,2,3-trimethylbutylamino)ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-(2,2,3-trimethylbutylamino)ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-(2,2,3-trimethylbutylamino)ethyl]carbamate is CC(C)C(C)(C)CNCCNC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[2-(2,2,3-trimethylbutylamino)ethyl]carbamate?
The InChIKey is PESVCRULBNOPMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2O2/c1-11(2)14(6,7)10-15-8-9-16-12(17)18-13(3,4)5/h11,15H,8-10H2,1-7H3,(H,16,17).
What are the key properties of tert-butyl N-[2-(2,2,3-trimethylbutylamino)ethyl]carbamate?
tert-butyl N-[2-(2,2,3-trimethylbutylamino)ethyl]carbamate has a molecular weight of 258.41 g/mol, XLogP of 2.78, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-(2,2,3-trimethylbutylamino)ethyl]carbamate is sourced from PubChem (CID 102610042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).