tert-butyl N-(2-methylpropyl)carbamate

C9H19NO2 — CID 11401043

IUPACtert-butyl N-(2-methylpropyl)carbamate
SMILESCC(C)CNC(=O)OC(C)(C)C
InChIInChI=1S/C9H19NO2/c1-7(2)6-10-8(11)12-9(3,4)5/h7H,6H2,1-5H3,(H,10,11)
InChIKeyTXDOUCCKKNGHST-UHFFFAOYSA-N
MW173.26 g/mol
LogP2.17
Rot. Bonds2

About tert-butyl N-(2-methylpropyl)carbamate

tert-butyl N-(2-methylpropyl)carbamate (PubChem CID 11401043) has the molecular formula C9H19NO2 and a molecular weight of 173.26 g/mol. Its IUPAC name is tert-butyl N-(2-methylpropyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(2-methylpropyl)carbamate
PubChem CID11401043
Molecular FormulaC9H19NO2
Molecular Weight173.26 g/mol
Exact Mass173.14
IUPAC Nametert-butyl N-(2-methylpropyl)carbamate
SMILESCC(C)CNC(=O)OC(C)(C)C
InChIInChI=1S/C9H19NO2/c1-7(2)6-10-8(11)12-9(3,4)5/h7H,6H2,1-5H3,(H,10,11)
InChIKeyTXDOUCCKKNGHST-UHFFFAOYSA-N
XLogP2.17
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

tert-butyl N-(4-aminobutyl)carbamate
CID 4351
tert-Butyl (3-((4-((3-aminopropyl)amino)butyl)amino)propyl)carbamate
CID 9882867
N-(tert-Butoxycarbonyl)-1,5-diaminopentane
CID 4352
Tert-butyl N-ethylcarbamate
CID 11198486
N-BOC-ethylenediamine
CID 187201
N-BOC-1,6-diaminohexane
CID 2733170
tert-Butyl (3-aminopropyl)carbamate
CID 2735700
tert-Butyl (6-aminohexyl)carbamate monohydrochloride
CID 3017638
Tert-butyl N-butylcarbamate
CID 4271883
tert-butyl N-(3-bromopropyl)carbamate
CID 4460490
tert-butyl N-((3S)-4-methylpent-1-yn-3-yl)carbamate
CID 10330344
1,1-Dimethylethyl 13,13-dimethyl-11-oxo-12-oxa-2,6,10-triazatetradecanoate
CID 10404463

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(2-methylpropyl)carbamate?
The IUPAC name of tert-butyl N-(2-methylpropyl)carbamate (CID 11401043) is tert-butyl N-(2-methylpropyl)carbamate.
What is the SMILES notation for tert-butyl N-(2-methylpropyl)carbamate?
The canonical SMILES for tert-butyl N-(2-methylpropyl)carbamate is CC(C)CNC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-(2-methylpropyl)carbamate?
The InChIKey is TXDOUCCKKNGHST-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO2/c1-7(2)6-10-8(11)12-9(3,4)5/h7H,6H2,1-5H3,(H,10,11).
What are the key properties of tert-butyl N-(2-methylpropyl)carbamate?
tert-butyl N-(2-methylpropyl)carbamate has a molecular weight of 173.26 g/mol, XLogP of 2.17, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(2-methylpropyl)carbamate is sourced from PubChem (CID 11401043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).