tert-butyl N-[2-(butan-2-ylamino)-2-cyclopropylethyl]carbamate

C14H28N2O2 — CID 103785747

IUPACtert-butyl N-[2-(butan-2-ylamino)-2-cyclopropylethyl]carbamate
SMILESCCC(C)NC(CNC(=O)OC(C)(C)C)C1CC1
InChIInChI=1S/C14H28N2O2/c1-6-10(2)16-12(11-7-8-11)9-15-13(17)18-14(3,4)5/h10-12,16H,6-9H2,1-5H3,(H,15,17)
InChIKeyKWOIOYAYWXHUFO-UHFFFAOYSA-N
MW256.39 g/mol
LogP2.68
Rot. Bonds6

About tert-butyl N-[2-(butan-2-ylamino)-2-cyclopropylethyl]carbamate

tert-butyl N-[2-(butan-2-ylamino)-2-cyclopropylethyl]carbamate (PubChem CID 103785747) has the molecular formula C14H28N2O2 and a molecular weight of 256.39 g/mol. Its IUPAC name is tert-butyl N-[2-(butan-2-ylamino)-2-cyclopropylethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-(butan-2-ylamino)-2-cyclopropylethyl]carbamate
PubChem CID103785747
Molecular FormulaC14H28N2O2
Molecular Weight256.39 g/mol
Exact Mass256.22
IUPAC Nametert-butyl N-[2-(butan-2-ylamino)-2-cyclopropylethyl]carbamate
SMILESCCC(C)NC(CNC(=O)OC(C)(C)C)C1CC1
InChIInChI=1S/C14H28N2O2/c1-6-10(2)16-12(11-7-8-11)9-15-13(17)18-14(3,4)5/h10-12,16H,6-9H2,1-5H3,(H,15,17)
InChIKeyKWOIOYAYWXHUFO-UHFFFAOYSA-N
XLogP2.68
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-[[1-cyclopropyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]amino]butanoate
CID 104578291
methyl 2-[[1-cyclopropyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]amino]propanoate
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tert-butyl N-[2-cyclohexyl-2-(pentan-3-ylamino)ethyl]carbamate
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tert-butyl N-[(2R)-2-cyclopropyl-2-(methylamino)ethyl]carbamate
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tert-butyl N-[2-cyclohexyl-2-(3-methylbutan-2-ylamino)ethyl]carbamate
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tert-butyl N-[2-cyclohexyl-2-(1-methoxybutan-2-ylamino)ethyl]carbamate
CID 103782984
tert-butyl N-[2-[[(1S)-1-cyclohexylethyl]amino]propyl]carbamate
CID 103390532
tert-butyl N-[2-(1-cyclopropylpropan-2-ylamino)pentyl]carbamate
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tert-butyl N-[2-(1-cyclobutylpropan-2-ylamino)butyl]carbamate
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tert-butyl N-[2-cyclopropyl-2-[(4-ethylcyclohexyl)amino]ethyl]carbamate
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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-(butan-2-ylamino)-2-cyclopropylethyl]carbamate?
The IUPAC name of tert-butyl N-[2-(butan-2-ylamino)-2-cyclopropylethyl]carbamate (CID 103785747) is tert-butyl N-[2-(butan-2-ylamino)-2-cyclopropylethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-(butan-2-ylamino)-2-cyclopropylethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-(butan-2-ylamino)-2-cyclopropylethyl]carbamate is CCC(C)NC(CNC(=O)OC(C)(C)C)C1CC1.
What is the InChIKey of tert-butyl N-[2-(butan-2-ylamino)-2-cyclopropylethyl]carbamate?
The InChIKey is KWOIOYAYWXHUFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O2/c1-6-10(2)16-12(11-7-8-11)9-15-13(17)18-14(3,4)5/h10-12,16H,6-9H2,1-5H3,(H,15,17).
What are the key properties of tert-butyl N-[2-(butan-2-ylamino)-2-cyclopropylethyl]carbamate?
tert-butyl N-[2-(butan-2-ylamino)-2-cyclopropylethyl]carbamate has a molecular weight of 256.39 g/mol, XLogP of 2.68, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-(butan-2-ylamino)-2-cyclopropylethyl]carbamate is sourced from PubChem (CID 103785747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).