tert-butyl N-[2-(1-cyclobutylpropan-2-ylamino)-1-cyclopropylethyl]carbamate

C17H32N2O2 — CID 103905910

IUPACtert-butyl N-[2-(1-cyclobutylpropan-2-ylamino)-1-cyclopropylethyl]carbamate
SMILESCC(CC1CCC1)NCC(NC(=O)OC(C)(C)C)C1CC1
InChIInChI=1S/C17H32N2O2/c1-12(10-13-6-5-7-13)18-11-15(14-8-9-14)19-16(20)21-17(2,3)4/h12-15,18H,5-11H2,1-4H3,(H,19,20)
InChIKeySBKZDGNZPQJMKO-UHFFFAOYSA-N
MW296.45 g/mol
LogP3.46
Rot. Bonds7

About tert-butyl N-[2-(1-cyclobutylpropan-2-ylamino)-1-cyclopropylethyl]carbamate

tert-butyl N-[2-(1-cyclobutylpropan-2-ylamino)-1-cyclopropylethyl]carbamate (PubChem CID 103905910) has the molecular formula C17H32N2O2 and a molecular weight of 296.45 g/mol. Its IUPAC name is tert-butyl N-[2-(1-cyclobutylpropan-2-ylamino)-1-cyclopropylethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-(1-cyclobutylpropan-2-ylamino)-1-cyclopropylethyl]carbamate
PubChem CID103905910
Molecular FormulaC17H32N2O2
Molecular Weight296.45 g/mol
Exact Mass296.25
IUPAC Nametert-butyl N-[2-(1-cyclobutylpropan-2-ylamino)-1-cyclopropylethyl]carbamate
SMILESCC(CC1CCC1)NCC(NC(=O)OC(C)(C)C)C1CC1
InChIInChI=1S/C17H32N2O2/c1-12(10-13-6-5-7-13)18-11-15(14-8-9-14)19-16(20)21-17(2,3)4/h12-15,18H,5-11H2,1-4H3,(H,19,20)
InChIKeySBKZDGNZPQJMKO-UHFFFAOYSA-N
XLogP3.46
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.45
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[3-(1-cyclobutylpropan-2-ylamino)propyl]carbamate
CID 103781099
tert-butyl N-[1-cyclopropyl-2-[(2,6-dimethylcyclohexyl)amino]ethyl]carbamate
CID 107243980
tert-butyl N-[1-cyclopropyl-2-[(2-ethylcyclohexyl)amino]ethyl]carbamate
CID 107244035
tert-butyl N-[(2S)-1-cyclobutyl-3-hydroxypropan-2-yl]carbamate
CID 51669789
tert-butyl N-[(1S)-1-cyclopentyl-2-hydroxyethyl]carbamate
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tert-butyl N-[2-(1-cyclobutylpropan-2-ylamino)butyl]carbamate
CID 107251071
tert-butyl N-[2-(cyclopentylmethylamino)propyl]carbamate
CID 103387805
tert-butyl N-[1-cyclopropyl-2-(thian-4-ylamino)ethyl]carbamate
CID 103872279
tert-butyl N-[2-cyclohexyl-1-[(2S)-oxiran-2-yl]ethyl]carbamate
CID 143558141
tert-butyl N-[1-cyclopropyl-2-[(4-hydroxycyclohexyl)amino]ethyl]carbamate
CID 107243978
tert-butyl N-[1-cyclopropyl-2-[1-(1,3-thiazol-5-yl)ethylamino]ethyl]carbamate
CID 103905984
tert-butyl N-[(1S,3S)-1-cyclohexyl-3-hydroxybutyl]carbamate
CID 101197526

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-(1-cyclobutylpropan-2-ylamino)-1-cyclopropylethyl]carbamate?
The IUPAC name of tert-butyl N-[2-(1-cyclobutylpropan-2-ylamino)-1-cyclopropylethyl]carbamate (CID 103905910) is tert-butyl N-[2-(1-cyclobutylpropan-2-ylamino)-1-cyclopropylethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-(1-cyclobutylpropan-2-ylamino)-1-cyclopropylethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-(1-cyclobutylpropan-2-ylamino)-1-cyclopropylethyl]carbamate is CC(CC1CCC1)NCC(NC(=O)OC(C)(C)C)C1CC1.
What is the InChIKey of tert-butyl N-[2-(1-cyclobutylpropan-2-ylamino)-1-cyclopropylethyl]carbamate?
The InChIKey is SBKZDGNZPQJMKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2O2/c1-12(10-13-6-5-7-13)18-11-15(14-8-9-14)19-16(20)21-17(2,3)4/h12-15,18H,5-11H2,1-4H3,(H,19,20).
What are the key properties of tert-butyl N-[2-(1-cyclobutylpropan-2-ylamino)-1-cyclopropylethyl]carbamate?
tert-butyl N-[2-(1-cyclobutylpropan-2-ylamino)-1-cyclopropylethyl]carbamate has a molecular weight of 296.45 g/mol, XLogP of 3.46, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-(1-cyclobutylpropan-2-ylamino)-1-cyclopropylethyl]carbamate is sourced from PubChem (CID 103905910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).