tert-butyl N-[2-(butan-2-ylamino)ethyl]-N-methylcarbamate

C12H26N2O2 — CID 115716335

IUPACtert-butyl N-[2-(butan-2-ylamino)ethyl]-N-methylcarbamate
SMILESCCC(C)NCCN(C)C(=O)OC(C)(C)C
InChIInChI=1S/C12H26N2O2/c1-7-10(2)13-8-9-14(6)11(15)16-12(3,4)5/h10,13H,7-9H2,1-6H3
InChIKeyURKZNRPNQURXTB-UHFFFAOYSA-N
MW230.35 g/mol
LogP2.24
Rot. Bonds5

About tert-butyl N-[2-(butan-2-ylamino)ethyl]-N-methylcarbamate

tert-butyl N-[2-(butan-2-ylamino)ethyl]-N-methylcarbamate (PubChem CID 115716335) has the molecular formula C12H26N2O2 and a molecular weight of 230.35 g/mol. Its IUPAC name is tert-butyl N-[2-(butan-2-ylamino)ethyl]-N-methylcarbamate.

Molecular Properties

Compound Nametert-butyl N-[2-(butan-2-ylamino)ethyl]-N-methylcarbamate
PubChem CID115716335
Molecular FormulaC12H26N2O2
Molecular Weight230.35 g/mol
Exact Mass230.20
IUPAC Nametert-butyl N-[2-(butan-2-ylamino)ethyl]-N-methylcarbamate
SMILESCCC(C)NCCN(C)C(=O)OC(C)(C)C
InChIInChI=1S/C12H26N2O2/c1-7-10(2)13-8-9-14(6)11(15)16-12(3,4)5/h10,13H,7-9H2,1-6H3
InChIKeyURKZNRPNQURXTB-UHFFFAOYSA-N
XLogP2.24
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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tert-butyl N-methyl-N-[3-(propan-2-ylamino)propyl]carbamate
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2-[3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propylamino]butanoic acid
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tert-butyl N-[2-(dicyclopropylmethylamino)ethyl]-N-methylcarbamate
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tert-butyl N-methyl-N-[4-(propan-2-ylamino)butyl]carbamate
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tert-butyl N-[2-(1-cyclohexylethylamino)ethyl]-N-methylcarbamate
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tert-butyl N-methyl-N-[2-(1-pyridin-4-ylethylamino)ethyl]carbamate
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tert-butyl N-methyl-N-(3-methylbutyl)carbamate;propane
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tert-butyl N-methyl-N-[2-[1-(1-methylimidazol-2-yl)ethylamino]ethyl]carbamate
CID 103913871
tert-butyl N-tert-butyl-N-[2-(4-methylhexan-2-ylamino)ethyl]carbamate
CID 107445776

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-(butan-2-ylamino)ethyl]-N-methylcarbamate?
The IUPAC name of tert-butyl N-[2-(butan-2-ylamino)ethyl]-N-methylcarbamate (CID 115716335) is tert-butyl N-[2-(butan-2-ylamino)ethyl]-N-methylcarbamate.
What is the SMILES notation for tert-butyl N-[2-(butan-2-ylamino)ethyl]-N-methylcarbamate?
The canonical SMILES for tert-butyl N-[2-(butan-2-ylamino)ethyl]-N-methylcarbamate is CCC(C)NCCN(C)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[2-(butan-2-ylamino)ethyl]-N-methylcarbamate?
The InChIKey is URKZNRPNQURXTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O2/c1-7-10(2)13-8-9-14(6)11(15)16-12(3,4)5/h10,13H,7-9H2,1-6H3.
What are the key properties of tert-butyl N-[2-(butan-2-ylamino)ethyl]-N-methylcarbamate?
tert-butyl N-[2-(butan-2-ylamino)ethyl]-N-methylcarbamate has a molecular weight of 230.35 g/mol, XLogP of 2.24, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-(butan-2-ylamino)ethyl]-N-methylcarbamate is sourced from PubChem (CID 115716335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).