tert-butyl N-butyl-N-cyclopropylcarbamate

C12H23NO2 — CID 63788161

IUPACtert-butyl N-butyl-N-cyclopropylcarbamate
SMILESCCCCN(C(=O)OC(C)(C)C)C1CC1
InChIInChI=1S/C12H23NO2/c1-5-6-9-13(10-7-8-10)11(14)15-12(2,3)4/h10H,5-9H2,1-4H3
InChIKeyIEBQQYUXRYGOHJ-UHFFFAOYSA-N
MW213.32 g/mol
LogP3.19
Rot. Bonds4

About tert-butyl N-butyl-N-cyclopropylcarbamate

tert-butyl N-butyl-N-cyclopropylcarbamate (PubChem CID 63788161) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is tert-butyl N-butyl-N-cyclopropylcarbamate.

Molecular Properties

Compound Nametert-butyl N-butyl-N-cyclopropylcarbamate
PubChem CID63788161
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC Nametert-butyl N-butyl-N-cyclopropylcarbamate
SMILESCCCCN(C(=O)OC(C)(C)C)C1CC1
InChIInChI=1S/C12H23NO2/c1-5-6-9-13(10-7-8-10)11(14)15-12(2,3)4/h10H,5-9H2,1-4H3
InChIKeyIEBQQYUXRYGOHJ-UHFFFAOYSA-N
XLogP3.19
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

tert-butyl N-(3-aminopropyl)-N-(4-methylcyclohexyl)carbamate
CID 50987781
tert-butyl N-cyclobutyl-N-(3-hydroxypropyl)carbamate
CID 22397314
tert-butyl N-cyclohexyl-N-[3-[(2-methylpropan-2-yl)oxycarbonyl-pentylamino]propyl]carbamate
CID 135248450
tert-butyl N-(1-aminopiperidin-4-yl)-N-propylcarbamate
CID 71276149
tert-butyl N-cyclopropyl-N-[3-(prop-2-ynylamino)propyl]carbamate
CID 107242920
tert-butyl N-cyclopropyl-N-[3-(1-ethoxypropan-2-ylamino)propyl]carbamate
CID 103781366
tert-butyl N-cyclopropyl-N-(3-oxohex-5-ynyl)carbamate
CID 165471654
tert-butyl N-cyclopropyl-N-[3-(piperidin-4-ylmethylamino)propyl]carbamate
CID 107242902
tert-butyl N-cyclopropyl-N-(2,2,2-trifluoroethyl)carbamate
CID 63789055
tert-butyl N-cyclopropyl-N-[3-[(4-methoxycyclohexyl)amino]propyl]carbamate
CID 104530154
methyl 2-[2-[cyclopropyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethylamino]propanoate
CID 103711065
tert-butyl N-cyclopropyl-N-[2-[[N'-methyl-N-(3-methylbutan-2-yl)carbamimidoyl]amino]ethyl]carbamate
CID 111002179

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-butyl-N-cyclopropylcarbamate?
The IUPAC name of tert-butyl N-butyl-N-cyclopropylcarbamate (CID 63788161) is tert-butyl N-butyl-N-cyclopropylcarbamate.
What is the SMILES notation for tert-butyl N-butyl-N-cyclopropylcarbamate?
The canonical SMILES for tert-butyl N-butyl-N-cyclopropylcarbamate is CCCCN(C(=O)OC(C)(C)C)C1CC1.
What is the InChIKey of tert-butyl N-butyl-N-cyclopropylcarbamate?
The InChIKey is IEBQQYUXRYGOHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2/c1-5-6-9-13(10-7-8-10)11(14)15-12(2,3)4/h10H,5-9H2,1-4H3.
What are the key properties of tert-butyl N-butyl-N-cyclopropylcarbamate?
tert-butyl N-butyl-N-cyclopropylcarbamate has a molecular weight of 213.32 g/mol, XLogP of 3.19, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-butyl-N-cyclopropylcarbamate is sourced from PubChem (CID 63788161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).