tert-butyl N-[3-(1-phenylpropylamino)cyclopentyl]carbamate

C19H30N2O2 — CID 103719879

IUPACtert-butyl N-[3-(1-phenylpropylamino)cyclopentyl]carbamate
SMILESCCC(NC1CCC(NC(=O)OC(C)(C)C)C1)c1ccccc1
InChIInChI=1S/C19H30N2O2/c1-5-17(14-9-7-6-8-10-14)20-15-11-12-16(13-15)21-18(22)23-19(2,3)4/h6-10,15-17,20H,5,11-13H2,1-4H3,(H,21,22)
InChIKeyUSXIYHONMHQIFV-UHFFFAOYSA-N
MW318.46 g/mol
LogP4.17
Rot. Bonds5

About tert-butyl N-[3-(1-phenylpropylamino)cyclopentyl]carbamate

tert-butyl N-[3-(1-phenylpropylamino)cyclopentyl]carbamate (PubChem CID 103719879) has the molecular formula C19H30N2O2 and a molecular weight of 318.46 g/mol. Its IUPAC name is tert-butyl N-[3-(1-phenylpropylamino)cyclopentyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-(1-phenylpropylamino)cyclopentyl]carbamate
PubChem CID103719879
Molecular FormulaC19H30N2O2
Molecular Weight318.46 g/mol
Exact Mass318.23
IUPAC Nametert-butyl N-[3-(1-phenylpropylamino)cyclopentyl]carbamate
SMILESCCC(NC1CCC(NC(=O)OC(C)(C)C)C1)c1ccccc1
InChIInChI=1S/C19H30N2O2/c1-5-17(14-9-7-6-8-10-14)20-15-11-12-16(13-15)21-18(22)23-19(2,3)4/h6-10,15-17,20H,5,11-13H2,1-4H3,(H,21,22)
InChIKeyUSXIYHONMHQIFV-UHFFFAOYSA-N
XLogP4.17
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.46
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[3-[[(1R)-2-hydroxy-1-phenylethyl]amino]cyclopentyl]carbamate
CID 107862557
tert-butyl N-[3-[[(1R)-2-hydroxy-1-phenylethyl]amino]cyclobutyl]carbamate
CID 107862559
tert-butyl N-[3-(1-thiophen-2-ylpropylamino)cyclopentyl]carbamate
CID 103719850
tert-butyl 3-(1-phenylpropylamino)azetidine-1-carboxylate
CID 63303236
tert-butyl N-[(1S,3S,4S)-3-hydroxy-4-[[(1S)-1-phenylethyl]amino]cyclohexyl]carbamate
CID 126613815
tert-butyl N-[3-(3-phenylbutylamino)cyclobutyl]carbamate
CID 103759634
tert-butyl N-[3-(2,3-dihydro-1H-inden-2-ylamino)cyclopentyl]carbamate
CID 107849928
tert-butyl N-[3-[[(1S)-1-(4-methylphenyl)ethyl]amino]cyclohexyl]carbamate
CID 113263051
tert-butyl N-[3-(cyclobutylamino)-1-phenylpropyl]carbamate
CID 107256614
tert-butyl N-[(1R,3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]carbamate
CID 22884203
tert-butyl N-[3-(1-phenylpropan-2-ylamino)cyclobutyl]carbamate
CID 103759638
tert-butyl N-[2-(cyclopentylamino)-1-phenylethyl]carbamate
CID 103700824

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-(1-phenylpropylamino)cyclopentyl]carbamate?
The IUPAC name of tert-butyl N-[3-(1-phenylpropylamino)cyclopentyl]carbamate (CID 103719879) is tert-butyl N-[3-(1-phenylpropylamino)cyclopentyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-(1-phenylpropylamino)cyclopentyl]carbamate?
The canonical SMILES for tert-butyl N-[3-(1-phenylpropylamino)cyclopentyl]carbamate is CCC(NC1CCC(NC(=O)OC(C)(C)C)C1)c1ccccc1.
What is the InChIKey of tert-butyl N-[3-(1-phenylpropylamino)cyclopentyl]carbamate?
The InChIKey is USXIYHONMHQIFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O2/c1-5-17(14-9-7-6-8-10-14)20-15-11-12-16(13-15)21-18(22)23-19(2,3)4/h6-10,15-17,20H,5,11-13H2,1-4H3,(H,21,22).
What are the key properties of tert-butyl N-[3-(1-phenylpropylamino)cyclopentyl]carbamate?
tert-butyl N-[3-(1-phenylpropylamino)cyclopentyl]carbamate has a molecular weight of 318.46 g/mol, XLogP of 4.17, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-(1-phenylpropylamino)cyclopentyl]carbamate is sourced from PubChem (CID 103719879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).