tert-butyl N-[2-(1-cyclopropylethylamino)cycloheptyl]carbamate

C17H32N2O2 — CID 103082516

IUPACtert-butyl N-[2-(1-cyclopropylethylamino)cycloheptyl]carbamate
SMILESCC(NC1CCCCCC1NC(=O)OC(C)(C)C)C1CC1
InChIInChI=1S/C17H32N2O2/c1-12(13-10-11-13)18-14-8-6-5-7-9-15(14)19-16(20)21-17(2,3)4/h12-15,18H,5-11H2,1-4H3,(H,19,20)
InChIKeyFUQNYCDFXIYOJU-UHFFFAOYSA-N
MW296.45 g/mol
LogP3.60
Rot. Bonds4

About tert-butyl N-[2-(1-cyclopropylethylamino)cycloheptyl]carbamate

tert-butyl N-[2-(1-cyclopropylethylamino)cycloheptyl]carbamate (PubChem CID 103082516) has the molecular formula C17H32N2O2 and a molecular weight of 296.45 g/mol. Its IUPAC name is tert-butyl N-[2-(1-cyclopropylethylamino)cycloheptyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-(1-cyclopropylethylamino)cycloheptyl]carbamate
PubChem CID103082516
Molecular FormulaC17H32N2O2
Molecular Weight296.45 g/mol
Exact Mass296.25
IUPAC Nametert-butyl N-[2-(1-cyclopropylethylamino)cycloheptyl]carbamate
SMILESCC(NC1CCCCCC1NC(=O)OC(C)(C)C)C1CC1
InChIInChI=1S/C17H32N2O2/c1-12(13-10-11-13)18-14-8-6-5-7-9-15(14)19-16(20)21-17(2,3)4/h12-15,18H,5-11H2,1-4H3,(H,19,20)
InChIKeyFUQNYCDFXIYOJU-UHFFFAOYSA-N
XLogP3.60
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.45
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[(1S,2R)-2-(propan-2-ylamino)cyclohexyl]carbamate
CID 96555526
2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]cycloheptyl]amino]propanoic acid
CID 107244084
tert-butyl N-[2-(dicyclopropylmethylamino)cyclopentyl]carbamate
CID 107243769
tert-butyl N-[3-(1-cyclohexylethylamino)cyclobutyl]carbamate
CID 80560825
tert-butyl N-[2-(2-methylpropylamino)cycloheptyl]carbamate
CID 103082504
tert-butyl N-[2-[(3-hydroxy-3-methylbutan-2-yl)amino]cyclopentyl]carbamate
CID 107243876
tert-butyl N-[3-[[(1S)-1-cyclohexylethyl]amino]cyclohexyl]carbamate
CID 103791676
tert-butyl N-[(2S)-2-(methylamino)cyclohexyl]carbamate
CID 163904666
tert-butyl N-[[2-(1-cyclohexylethylamino)cyclopentyl]methyl]carbamate
CID 103695770
tert-butyl N-[2-(3-methylpentan-2-ylamino)cyclopentyl]carbamate
CID 107243823
tert-butyl N-[(1S,2S)-2-(cyclohexylamino)cyclohexyl]carbamate
CID 129409949
tert-butyl N-[2-[1-(1-methylpiperidin-4-yl)ethylamino]cyclopropyl]carbamate
CID 107237567

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-(1-cyclopropylethylamino)cycloheptyl]carbamate?
The IUPAC name of tert-butyl N-[2-(1-cyclopropylethylamino)cycloheptyl]carbamate (CID 103082516) is tert-butyl N-[2-(1-cyclopropylethylamino)cycloheptyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-(1-cyclopropylethylamino)cycloheptyl]carbamate?
The canonical SMILES for tert-butyl N-[2-(1-cyclopropylethylamino)cycloheptyl]carbamate is CC(NC1CCCCCC1NC(=O)OC(C)(C)C)C1CC1.
What is the InChIKey of tert-butyl N-[2-(1-cyclopropylethylamino)cycloheptyl]carbamate?
The InChIKey is FUQNYCDFXIYOJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2O2/c1-12(13-10-11-13)18-14-8-6-5-7-9-15(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-cyclopropylethylamino)cycloheptyl]carbamate?
tert-butyl N-[2-(1-cyclopropylethylamino)cycloheptyl]carbamate has a molecular weight of 296.45 g/mol, XLogP of 3.60, 4 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-cyclopropylethylamino)cycloheptyl]carbamate is sourced from PubChem (CID 103082516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).