tert-butyl 7-[[(2-methylcyclopropyl)amino]methyl]-2,3-dihydroindole-1-carboxylate

C18H26N2O2 — CID 103752973

IUPACtert-butyl 7-[[(2-methylcyclopropyl)amino]methyl]-2,3-dihydroindole-1-carboxylate
SMILESCC1CC1NCc1cccc2c1N(C(=O)OC(C)(C)C)CC2
InChIInChI=1S/C18H26N2O2/c1-12-10-15(12)19-11-14-7-5-6-13-8-9-20(16(13)14)17(21)22-18(2,3)4/h5-7,12,15,19H,8-11H2,1-4H3
InChIKeyJRPXOPAIVUBPFU-UHFFFAOYSA-N
MW302.42 g/mol
LogP3.48
Rot. Bonds3

About tert-butyl 7-[[(2-methylcyclopropyl)amino]methyl]-2,3-dihydroindole-1-carboxylate

tert-butyl 7-[[(2-methylcyclopropyl)amino]methyl]-2,3-dihydroindole-1-carboxylate (PubChem CID 103752973) has the molecular formula C18H26N2O2 and a molecular weight of 302.42 g/mol. Its IUPAC name is tert-butyl 7-[[(2-methylcyclopropyl)amino]methyl]-2,3-dihydroindole-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 7-[[(2-methylcyclopropyl)amino]methyl]-2,3-dihydroindole-1-carboxylate
PubChem CID103752973
Molecular FormulaC18H26N2O2
Molecular Weight302.42 g/mol
Exact Mass302.20
IUPAC Nametert-butyl 7-[[(2-methylcyclopropyl)amino]methyl]-2,3-dihydroindole-1-carboxylate
SMILESCC1CC1NCc1cccc2c1N(C(=O)OC(C)(C)C)CC2
InChIInChI=1S/C18H26N2O2/c1-12-10-15(12)19-11-14-7-5-6-13-8-9-20(16(13)14)17(21)22-18(2,3)4/h5-7,12,15,19H,8-11H2,1-4H3
InChIKeyJRPXOPAIVUBPFU-UHFFFAOYSA-N
XLogP3.48
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl 8-[[(3-methylcyclobutyl)amino]methyl]-3,4-dihydro-2H-quinoline-1-carboxylate
CID 113467134
tert-butyl 7-(ethylaminomethyl)-2,3-dihydroindole-1-carboxylate
CID 80502179
tert-butyl 7-[(thiolan-3-ylamino)methyl]-2,3-dihydroindole-1-carboxylate
CID 103926199
tert-butyl 7-[[(5-oxopyrrolidin-3-yl)amino]methyl]-2,3-dihydroindole-1-carboxylate
CID 114155316
tert-butyl 7-[(2-methylbutan-2-ylamino)methyl]-2,3-dihydroindole-1-carboxylate
CID 103761026
tert-butyl 7-[[(1-methylpiperidin-3-yl)amino]methyl]-2,3-dihydroindole-1-carboxylate
CID 113255300
tert-butyl 7-[[(3-amino-3-oxopropyl)amino]methyl]-2,3-dihydroindole-1-carboxylate
CID 103761054
tert-butyl 7-[(thian-3-ylamino)methyl]-2,3-dihydroindole-1-carboxylate
CID 113255334
tert-butyl 7-[[[2-(dimethylamino)-2-methylpropyl]amino]methyl]-2,3-dihydroindole-1-carboxylate
CID 113255278
tert-butyl 7-(nitrosomethyl)-2,3-dihydroindole-1-carboxylate
CID 89152421
tert-butyl 8-[(2-methylbutan-2-ylamino)methyl]-3,4-dihydro-2H-quinoline-1-carboxylate
CID 113256679
tert-butyl 8-[[4-[(1R,2R)-2-methoxycarbonylcyclopropyl]anilino]methyl]-3,4-dihydro-2H-quinoline-1-carboxylate
CID 68668136

Frequently Asked Questions

What is the IUPAC name of tert-butyl 7-[[(2-methylcyclopropyl)amino]methyl]-2,3-dihydroindole-1-carboxylate?
The IUPAC name of tert-butyl 7-[[(2-methylcyclopropyl)amino]methyl]-2,3-dihydroindole-1-carboxylate (CID 103752973) is tert-butyl 7-[[(2-methylcyclopropyl)amino]methyl]-2,3-dihydroindole-1-carboxylate.
What is the SMILES notation for tert-butyl 7-[[(2-methylcyclopropyl)amino]methyl]-2,3-dihydroindole-1-carboxylate?
The canonical SMILES for tert-butyl 7-[[(2-methylcyclopropyl)amino]methyl]-2,3-dihydroindole-1-carboxylate is CC1CC1NCc1cccc2c1N(C(=O)OC(C)(C)C)CC2.
What is the InChIKey of tert-butyl 7-[[(2-methylcyclopropyl)amino]methyl]-2,3-dihydroindole-1-carboxylate?
The InChIKey is JRPXOPAIVUBPFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O2/c1-12-10-15(12)19-11-14-7-5-6-13-8-9-20(16(13)14)17(21)22-18(2,3)4/h5-7,12,15,19H,8-11H2,1-4H3.
What are the key properties of tert-butyl 7-[[(2-methylcyclopropyl)amino]methyl]-2,3-dihydroindole-1-carboxylate?
tert-butyl 7-[[(2-methylcyclopropyl)amino]methyl]-2,3-dihydroindole-1-carboxylate has a molecular weight of 302.42 g/mol, XLogP of 3.48, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 7-[[(2-methylcyclopropyl)amino]methyl]-2,3-dihydroindole-1-carboxylate is sourced from PubChem (CID 103752973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).