2-methylpropyl N-(2-methylpropylideneamino)carbamate

C9H18N2O2 — CID 123852161

IUPAC2-methylpropyl N-(2-methylpropylideneamino)carbamate
SMILESCC(C)C=NNC(=O)OCC(C)C
InChIInChI=1S/C9H18N2O2/c1-7(2)5-10-11-9(12)13-6-8(3)4/h5,7-8H,6H2,1-4H3,(H,11,12)
InChIKeyJWDYUTJZQMIPLI-UHFFFAOYSA-N
MW186.25 g/mol
LogP2.01
Rot. Bonds4

About 2-methylpropyl N-(2-methylpropylideneamino)carbamate

2-methylpropyl N-(2-methylpropylideneamino)carbamate (PubChem CID 123852161) has the molecular formula C9H18N2O2 and a molecular weight of 186.25 g/mol. Its IUPAC name is 2-methylpropyl N-(2-methylpropylideneamino)carbamate.

Molecular Properties

Compound Name2-methylpropyl N-(2-methylpropylideneamino)carbamate
PubChem CID123852161
Molecular FormulaC9H18N2O2
Molecular Weight186.25 g/mol
Exact Mass186.14
IUPAC Name2-methylpropyl N-(2-methylpropylideneamino)carbamate
SMILESCC(C)C=NNC(=O)OCC(C)C
InChIInChI=1S/C9H18N2O2/c1-7(2)5-10-11-9(12)13-6-8(3)4/h5,7-8H,6H2,1-4H3,(H,11,12)
InChIKeyJWDYUTJZQMIPLI-UHFFFAOYSA-N
XLogP2.01
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-methylpropyl N-hydroxycarbamate
CID 22467
2-methylpropyl N-propan-2-ylcarbamate
CID 20815988
2-methylpropyl N-(2-methylprop-1-enyl)carbamate
CID 174609096
2-methylpropyl N-ethoxycarbamate
CID 115575426
ethyl N-[(Z)-[(2S)-2-phenylpropylidene]amino]carbamate
CID 7858390
2-methylpropyl N-[6-(2-methylpropoxycarbonylamino)hexyl]carbamate
CID 91749295
2-methylpropyl N-(2-hydroxypropyl)carbamate
CID 43427881
2-methylpropyl 2-(2-methylpropoxycarbonylamino)acetate
CID 6420840
2-methylpropyl N-[4-[4-(2-methylpropoxycarbonylamino)phenyl]phenyl]carbamate
CID 18877627
2-methylpropyl N-[2-(methylamino)ethyl]carbamate
CID 62658921
2-methylpropyl N-(2-hydrazinylhydrazinyl)carbamate
CID 59037588
2-methylpropyl N-[dimethyl(sulfanyl)-λ4-sulfanyl]carbamate
CID 146227835

Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl N-(2-methylpropylideneamino)carbamate?
The IUPAC name of 2-methylpropyl N-(2-methylpropylideneamino)carbamate (CID 123852161) is 2-methylpropyl N-(2-methylpropylideneamino)carbamate.
What is the SMILES notation for 2-methylpropyl N-(2-methylpropylideneamino)carbamate?
The canonical SMILES for 2-methylpropyl N-(2-methylpropylideneamino)carbamate is CC(C)C=NNC(=O)OCC(C)C.
What is the InChIKey of 2-methylpropyl N-(2-methylpropylideneamino)carbamate?
The InChIKey is JWDYUTJZQMIPLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O2/c1-7(2)5-10-11-9(12)13-6-8(3)4/h5,7-8H,6H2,1-4H3,(H,11,12).
What are the key properties of 2-methylpropyl N-(2-methylpropylideneamino)carbamate?
2-methylpropyl N-(2-methylpropylideneamino)carbamate has a molecular weight of 186.25 g/mol, XLogP of 2.01, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropyl N-(2-methylpropylideneamino)carbamate is sourced from PubChem (CID 123852161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).