tert-butyl N-[2-(2-methylpropylideneamino)ethyl]carbamate

C11H22N2O2 — CID 25228487

IUPACtert-butyl N-[2-(2-methylpropylideneamino)ethyl]carbamate
SMILESCC(C)/C=N/CCNC(=O)OC(C)(C)C
InChIInChI=1S/C11H22N2O2/c1-9(2)8-12-6-7-13-10(14)15-11(3,4)5/h8-9H,6-7H2,1-5H3,(H,13,14)/b12-8+
InChIKeyWDIPJKFAJZYBCG-XYOKQWHBSA-N
MW214.31 g/mol
LogP2.24
Rot. Bonds4

About tert-butyl N-[2-(2-methylpropylideneamino)ethyl]carbamate

tert-butyl N-[2-(2-methylpropylideneamino)ethyl]carbamate (PubChem CID 25228487) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is tert-butyl N-[2-(2-methylpropylideneamino)ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-(2-methylpropylideneamino)ethyl]carbamate
PubChem CID25228487
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC Nametert-butyl N-[2-(2-methylpropylideneamino)ethyl]carbamate
SMILESCC(C)/C=N/CCNC(=O)OC(C)(C)C
InChIInChI=1S/C11H22N2O2/c1-9(2)8-12-6-7-13-10(14)15-11(3,4)5/h8-9H,6-7H2,1-5H3,(H,13,14)/b12-8+
InChIKeyWDIPJKFAJZYBCG-XYOKQWHBSA-N
XLogP2.24
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-[3-(2-methylpropylideneamino)propyl]carbamate
CID 25228230
2-[(2-Methylpropan-2-yl)oxycarbonylamino]ethyl-(4,4,4-trifluoro-3-oxobutylidene)azanium
CID 7020972
tert-butyl N-[2-[(4,4,4-trifluoro-3-oxobutylidene)amino]ethyl]carbamate
CID 7020973
tert-butyl N-[(3S,4R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-3,4-dihydro-2H-pyrrol-4-yl]carbamate
CID 101254770
tert-butyl N-(2-methyliminoethyl)carbamate
CID 23290886
tert-Butyl (2-isocyanatoethyl)carbamate
CID 28343265
tert-butyl N-[2-(1-aminoethylideneamino)ethyl]carbamate
CID 45091956
tert-butyl N-(2-iminoethyl)carbamate
CID 53942281
Tert-butyl 1,2,3,6-tetrahydropyrazin-4-ium-4-carboxylate
CID 58277214
Tert-butyl 1,4,7,10-tetrazacyclododeca-6,10-diene-1-carboxylate
CID 70796911
tert-butyl N-[(2R)-1-iminopropan-2-yl]carbamate
CID 88903297
tert-butyl N-(2-amino-2-methyliminoethyl)carbamate
CID 88939571

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-(2-methylpropylideneamino)ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-(2-methylpropylideneamino)ethyl]carbamate (CID 25228487) is tert-butyl N-[2-(2-methylpropylideneamino)ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-(2-methylpropylideneamino)ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-(2-methylpropylideneamino)ethyl]carbamate is CC(C)/C=N/CCNC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[2-(2-methylpropylideneamino)ethyl]carbamate?
The InChIKey is WDIPJKFAJZYBCG-XYOKQWHBSA-N. The full InChI is InChI=1S/C11H22N2O2/c1-9(2)8-12-6-7-13-10(14)15-11(3,4)5/h8-9H,6-7H2,1-5H3,(H,13,14)/b12-8+.
What are the key properties of tert-butyl N-[2-(2-methylpropylideneamino)ethyl]carbamate?
tert-butyl N-[2-(2-methylpropylideneamino)ethyl]carbamate has a molecular weight of 214.31 g/mol, XLogP of 2.24, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-(2-methylpropylideneamino)ethyl]carbamate is sourced from PubChem (CID 25228487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).