tert-butyl N-[2-(2-phenylpropylamino)cyclopropyl]carbamate

C17H26N2O2 — CID 107238153

IUPACtert-butyl N-[2-(2-phenylpropylamino)cyclopropyl]carbamate
SMILESCC(CNC1CC1NC(=O)OC(C)(C)C)c1ccccc1
InChIInChI=1S/C17H26N2O2/c1-12(13-8-6-5-7-9-13)11-18-14-10-15(14)19-16(20)21-17(2,3)4/h5-9,12,14-15,18H,10-11H2,1-4H3,(H,19,20)
InChIKeyGEEQSSOGQSVEGO-UHFFFAOYSA-N
MW290.41 g/mol
LogP3.05
Rot. Bonds5

About tert-butyl N-[2-(2-phenylpropylamino)cyclopropyl]carbamate

tert-butyl N-[2-(2-phenylpropylamino)cyclopropyl]carbamate (PubChem CID 107238153) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is tert-butyl N-[2-(2-phenylpropylamino)cyclopropyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-(2-phenylpropylamino)cyclopropyl]carbamate
PubChem CID107238153
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Nametert-butyl N-[2-(2-phenylpropylamino)cyclopropyl]carbamate
SMILESCC(CNC1CC1NC(=O)OC(C)(C)C)c1ccccc1
InChIInChI=1S/C17H26N2O2/c1-12(13-8-6-5-7-9-13)11-18-14-10-15(14)19-16(20)21-17(2,3)4/h5-9,12,14-15,18H,10-11H2,1-4H3,(H,19,20)
InChIKeyGEEQSSOGQSVEGO-UHFFFAOYSA-N
XLogP3.05
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[2-[(3-methoxy-2-methylpropyl)amino]cyclopropyl]carbamate
CID 107238325
tert-butyl N-[3-(3-phenylbutylamino)cyclobutyl]carbamate
CID 103759634
tert-butyl N-[2-[(2-hydroxyphenyl)methylamino]cyclopropyl]carbamate
CID 107237513
tert-butyl N-[1-cyclopropyl-2-(2-phenylpropylamino)ethyl]carbamate
CID 107095366
tert-butyl N-[2-[(2-bromophenyl)methylamino]cyclopropyl]carbamate
CID 107237536
4-[[[2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopropyl]amino]methyl]benzoic acid
CID 107238255
tert-butyl N-[2-(3-methylbutylamino)cyclopropyl]carbamate
CID 107237740
tert-butyl N-[2-[(2-methyloxolan-3-yl)amino]-1-phenylethyl]carbamate
CID 103827885
tert-butyl N-[3-[[(1R)-2-hydroxy-1-phenylethyl]amino]cyclobutyl]carbamate
CID 107862559
tert-butyl N-[(1S)-2-phenylcyclopropyl]carbamate
CID 58486461
tert-butyl N-[2-[(2-methylcyclopentyl)amino]-1-phenylethyl]carbamate
CID 103748481
tert-butyl N-[2-[(4-fluorophenyl)methylamino]cyclopropyl]carbamate
CID 107237946

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-(2-phenylpropylamino)cyclopropyl]carbamate?
The IUPAC name of tert-butyl N-[2-(2-phenylpropylamino)cyclopropyl]carbamate (CID 107238153) is tert-butyl N-[2-(2-phenylpropylamino)cyclopropyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-(2-phenylpropylamino)cyclopropyl]carbamate?
The canonical SMILES for tert-butyl N-[2-(2-phenylpropylamino)cyclopropyl]carbamate is CC(CNC1CC1NC(=O)OC(C)(C)C)c1ccccc1.
What is the InChIKey of tert-butyl N-[2-(2-phenylpropylamino)cyclopropyl]carbamate?
The InChIKey is GEEQSSOGQSVEGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-12(13-8-6-5-7-9-13)11-18-14-10-15(14)19-16(20)21-17(2,3)4/h5-9,12,14-15,18H,10-11H2,1-4H3,(H,19,20).
What are the key properties of tert-butyl N-[2-(2-phenylpropylamino)cyclopropyl]carbamate?
tert-butyl N-[2-(2-phenylpropylamino)cyclopropyl]carbamate has a molecular weight of 290.41 g/mol, XLogP of 3.05, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-(2-phenylpropylamino)cyclopropyl]carbamate is sourced from PubChem (CID 107238153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).