tert-butyl N-(4-methyliminobutyl)carbamate

C10H20N2O2 — CID 118085013

IUPACtert-butyl N-(4-methyliminobutyl)carbamate
SMILESC/N=C/CCCNC(=O)OC(C)(C)C
InChIInChI=1S/C10H20N2O2/c1-10(2,3)14-9(13)12-8-6-5-7-11-4/h7H,5-6,8H2,1-4H3,(H,12,13)/b11-7+
InChIKeyQDFZRCWXURZLDP-YRNVUSSQSA-N
MW200.28 g/mol
LogP1.99
Rot. Bonds4

About tert-butyl N-(4-methyliminobutyl)carbamate

tert-butyl N-(4-methyliminobutyl)carbamate (PubChem CID 118085013) has the molecular formula C10H20N2O2 and a molecular weight of 200.28 g/mol. Its IUPAC name is tert-butyl N-(4-methyliminobutyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(4-methyliminobutyl)carbamate
PubChem CID118085013
Molecular FormulaC10H20N2O2
Molecular Weight200.28 g/mol
Exact Mass200.15
IUPAC Nametert-butyl N-(4-methyliminobutyl)carbamate
SMILESC/N=C/CCCNC(=O)OC(C)(C)C
InChIInChI=1S/C10H20N2O2/c1-10(2,3)14-9(13)12-8-6-5-7-11-4/h7H,5-6,8H2,1-4H3,(H,12,13)/b11-7+
InChIKeyQDFZRCWXURZLDP-YRNVUSSQSA-N
XLogP1.99
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 51.99
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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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(4-methyliminobutyl)carbamate?
The IUPAC name of tert-butyl N-(4-methyliminobutyl)carbamate (CID 118085013) is tert-butyl N-(4-methyliminobutyl)carbamate.
What is the SMILES notation for tert-butyl N-(4-methyliminobutyl)carbamate?
The canonical SMILES for tert-butyl N-(4-methyliminobutyl)carbamate is C/N=C/CCCNC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-(4-methyliminobutyl)carbamate?
The InChIKey is QDFZRCWXURZLDP-YRNVUSSQSA-N. The full InChI is InChI=1S/C10H20N2O2/c1-10(2,3)14-9(13)12-8-6-5-7-11-4/h7H,5-6,8H2,1-4H3,(H,12,13)/b11-7+.
What are the key properties of tert-butyl N-(4-methyliminobutyl)carbamate?
tert-butyl N-(4-methyliminobutyl)carbamate has a molecular weight of 200.28 g/mol, XLogP of 1.99, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(4-methyliminobutyl)carbamate is sourced from PubChem (CID 118085013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).