tert-butyl N-[2-(1-aminocyclopropyl)ethyl]-N-(2-methylphenyl)carbamate

C17H26N2O2 — CID 84814898

IUPACtert-butyl N-[2-(1-aminocyclopropyl)ethyl]-N-(2-methylphenyl)carbamate
SMILESCc1ccccc1N(CCC1(N)CC1)C(=O)OC(C)(C)C
InChIInChI=1S/C17H26N2O2/c1-13-7-5-6-8-14(13)19(12-11-17(18)9-10-17)15(20)21-16(2,3)4/h5-8H,9-12,18H2,1-4H3
InChIKeyNFFFGCRNWJWTPZ-UHFFFAOYSA-N
MW290.41 g/mol
LogP3.62
Rot. Bonds4

About tert-butyl N-[2-(1-aminocyclopropyl)ethyl]-N-(2-methylphenyl)carbamate

tert-butyl N-[2-(1-aminocyclopropyl)ethyl]-N-(2-methylphenyl)carbamate (PubChem CID 84814898) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is tert-butyl N-[2-(1-aminocyclopropyl)ethyl]-N-(2-methylphenyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-(1-aminocyclopropyl)ethyl]-N-(2-methylphenyl)carbamate
PubChem CID84814898
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Nametert-butyl N-[2-(1-aminocyclopropyl)ethyl]-N-(2-methylphenyl)carbamate
SMILESCc1ccccc1N(CCC1(N)CC1)C(=O)OC(C)(C)C
InChIInChI=1S/C17H26N2O2/c1-13-7-5-6-8-14(13)19(12-11-17(18)9-10-17)15(20)21-16(2,3)4/h5-8H,9-12,18H2,1-4H3
InChIKeyNFFFGCRNWJWTPZ-UHFFFAOYSA-N
XLogP3.62
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[(1-aminocyclopropyl)methyl]-N-(2-fluorophenyl)carbamate
CID 84811889
N-[2-(1-aminocyclopentyl)ethyl]-N,2-dimethylaniline
CID 64680990
tert-butyl N-methoxy-N-(2-methylphenyl)carbamate
CID 54101933
(2S)-1-[2-[2-methyl-N-[(2-methylpropan-2-yl)oxycarbonyl]anilino]acetyl]pyrrolidine-2-carboxylic acid
CID 70069770
3-[2-amino-N-[(2-methylpropan-2-yl)oxycarbonyl]anilino]propanoic acid
CID 63118555
tert-butyl N-(2-iodophenyl)-N-propylcarbamate
CID 165178423
tert-butyl N-[2-(aminomethyl)phenyl]-N-ethylcarbamate
CID 70071054
tert-butyl N-[2-(bromomethyl)phenyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
CID 121232067
tert-butyl N-(2-aminoethyl)-N-pyridin-2-ylcarbamate
CID 83717032
tert-butyl 2-(N-[2-(1,3-dioxoisoindol-2-yl)acetyl]-2-methylanilino)acetate
CID 19001995
tert-butyl N-[2-(hydroxymethyl)phenyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
CID 121232071
1-(2-hydroxyethyl)-1-(2-methylphenyl)urea
CID 14685232

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-(1-aminocyclopropyl)ethyl]-N-(2-methylphenyl)carbamate?
The IUPAC name of tert-butyl N-[2-(1-aminocyclopropyl)ethyl]-N-(2-methylphenyl)carbamate (CID 84814898) is tert-butyl N-[2-(1-aminocyclopropyl)ethyl]-N-(2-methylphenyl)carbamate.
What is the SMILES notation for tert-butyl N-[2-(1-aminocyclopropyl)ethyl]-N-(2-methylphenyl)carbamate?
The canonical SMILES for tert-butyl N-[2-(1-aminocyclopropyl)ethyl]-N-(2-methylphenyl)carbamate is Cc1ccccc1N(CCC1(N)CC1)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[2-(1-aminocyclopropyl)ethyl]-N-(2-methylphenyl)carbamate?
The InChIKey is NFFFGCRNWJWTPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-13-7-5-6-8-14(13)19(12-11-17(18)9-10-17)15(20)21-16(2,3)4/h5-8H,9-12,18H2,1-4H3.
What are the key properties of tert-butyl N-[2-(1-aminocyclopropyl)ethyl]-N-(2-methylphenyl)carbamate?
tert-butyl N-[2-(1-aminocyclopropyl)ethyl]-N-(2-methylphenyl)carbamate has a molecular weight of 290.41 g/mol, XLogP of 3.62, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-(1-aminocyclopropyl)ethyl]-N-(2-methylphenyl)carbamate is sourced from PubChem (CID 84814898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).