tert-butyl N-[3-(2-methylpropylideneamino)propyl]carbamate

C12H24N2O2 — CID 25228230

IUPACtert-butyl N-[3-(2-methylpropylideneamino)propyl]carbamate
SMILESCC(C)/C=N/CCCNC(=O)OC(C)(C)C
InChIInChI=1S/C12H24N2O2/c1-10(2)9-13-7-6-8-14-11(15)16-12(3,4)5/h9-10H,6-8H2,1-5H3,(H,14,15)/b13-9+
InChIKeyDAZOCWRRVLSQME-UKTHLTGXSA-N
MW228.34 g/mol
LogP2.63
Rot. Bonds5

About tert-butyl N-[3-(2-methylpropylideneamino)propyl]carbamate

tert-butyl N-[3-(2-methylpropylideneamino)propyl]carbamate (PubChem CID 25228230) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is tert-butyl N-[3-(2-methylpropylideneamino)propyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-(2-methylpropylideneamino)propyl]carbamate
PubChem CID25228230
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Nametert-butyl N-[3-(2-methylpropylideneamino)propyl]carbamate
SMILESCC(C)/C=N/CCCNC(=O)OC(C)(C)C
InChIInChI=1S/C12H24N2O2/c1-10(2)9-13-7-6-8-14-11(15)16-12(3,4)5/h9-10H,6-8H2,1-5H3,(H,14,15)/b13-9+
InChIKeyDAZOCWRRVLSQME-UKTHLTGXSA-N
XLogP2.63
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 52.63
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

N-(tert-Butoxycarbonyl)-2-methyl-1,3-diaminopropane
CID 44629801
tert-butyl N-(3-isocyanatopropyl)carbamate
CID 20525117
tert-butyl N-((2S)-3-amino-2-methylpropyl)carbamate
CID 86316718
tert-butyl N-((2R)-3-amino-2-methylpropyl)carbamate
CID 86316720
tert-butyl N-[2-(2-methylpropylideneamino)ethyl]carbamate
CID 25228487
Tert-butyl (3-amino-3-iminopropyl)carbamate
CID 12715858
tert-butyl N-[(3S,4R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-3,4-dihydro-2H-pyrrol-4-yl]carbamate
CID 101254770
tert-butyl N-[(1E,2S)-1-hydroxyimino-3-methylbutan-2-yl]carbamate
CID 10512905
tert-butyl N-(2-methyliminoethyl)carbamate
CID 23290886
tert-butyl N-(3,4-dihydro-2H-pyrrol-4-yl)carbamate
CID 53819292
tert-butyl N-(2-iminoethyl)carbamate
CID 53942281
tert-butyl N-[(2R,4E)-4-hydroxyiminobutan-2-yl]carbamate
CID 58633155

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-(2-methylpropylideneamino)propyl]carbamate?
The IUPAC name of tert-butyl N-[3-(2-methylpropylideneamino)propyl]carbamate (CID 25228230) is tert-butyl N-[3-(2-methylpropylideneamino)propyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-(2-methylpropylideneamino)propyl]carbamate?
The canonical SMILES for tert-butyl N-[3-(2-methylpropylideneamino)propyl]carbamate is CC(C)/C=N/CCCNC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[3-(2-methylpropylideneamino)propyl]carbamate?
The InChIKey is DAZOCWRRVLSQME-UKTHLTGXSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-10(2)9-13-7-6-8-14-11(15)16-12(3,4)5/h9-10H,6-8H2,1-5H3,(H,14,15)/b13-9+.
What are the key properties of tert-butyl N-[3-(2-methylpropylideneamino)propyl]carbamate?
tert-butyl N-[3-(2-methylpropylideneamino)propyl]carbamate has a molecular weight of 228.34 g/mol, XLogP of 2.63, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-(2-methylpropylideneamino)propyl]carbamate is sourced from PubChem (CID 25228230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).