tert-butyl N-[2-[(6-methyl-2,3-dihydro-1H-inden-1-yl)amino]cyclopropyl]carbamate

C18H26N2O2 — CID 107237644

IUPACtert-butyl N-[2-[(6-methyl-2,3-dihydro-1H-inden-1-yl)amino]cyclopropyl]carbamate
SMILESCc1ccc2c(c1)C(NC1CC1NC(=O)OC(C)(C)C)CC2
InChIInChI=1S/C18H26N2O2/c1-11-5-6-12-7-8-14(13(12)9-11)19-15-10-16(15)20-17(21)22-18(2,3)4/h5-6,9,14-16,19H,7-8,10H2,1-4H3,(H,20,21)
InChIKeyKCQIRUDNXMKLSP-UHFFFAOYSA-N
MW302.42 g/mol
LogP3.24
Rot. Bonds3

About tert-butyl N-[2-[(6-methyl-2,3-dihydro-1H-inden-1-yl)amino]cyclopropyl]carbamate

tert-butyl N-[2-[(6-methyl-2,3-dihydro-1H-inden-1-yl)amino]cyclopropyl]carbamate (PubChem CID 107237644) has the molecular formula C18H26N2O2 and a molecular weight of 302.42 g/mol. Its IUPAC name is tert-butyl N-[2-[(6-methyl-2,3-dihydro-1H-inden-1-yl)amino]cyclopropyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[(6-methyl-2,3-dihydro-1H-inden-1-yl)amino]cyclopropyl]carbamate
PubChem CID107237644
Molecular FormulaC18H26N2O2
Molecular Weight302.42 g/mol
Exact Mass302.20
IUPAC Nametert-butyl N-[2-[(6-methyl-2,3-dihydro-1H-inden-1-yl)amino]cyclopropyl]carbamate
SMILESCc1ccc2c(c1)C(NC1CC1NC(=O)OC(C)(C)C)CC2
InChIInChI=1S/C18H26N2O2/c1-11-5-6-12-7-8-14(13(12)9-11)19-15-10-16(15)20-17(21)22-18(2,3)4/h5-6,9,14-16,19H,7-8,10H2,1-4H3,(H,20,21)
InChIKeyKCQIRUDNXMKLSP-UHFFFAOYSA-N
XLogP3.24
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[(6-methyl-2,3-dihydro-1H-inden-1-yl)amino]cyclopropyl]carbamate?
The IUPAC name of tert-butyl N-[2-[(6-methyl-2,3-dihydro-1H-inden-1-yl)amino]cyclopropyl]carbamate (CID 107237644) is tert-butyl N-[2-[(6-methyl-2,3-dihydro-1H-inden-1-yl)amino]cyclopropyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[(6-methyl-2,3-dihydro-1H-inden-1-yl)amino]cyclopropyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[(6-methyl-2,3-dihydro-1H-inden-1-yl)amino]cyclopropyl]carbamate is Cc1ccc2c(c1)C(NC1CC1NC(=O)OC(C)(C)C)CC2.
What is the InChIKey of tert-butyl N-[2-[(6-methyl-2,3-dihydro-1H-inden-1-yl)amino]cyclopropyl]carbamate?
The InChIKey is KCQIRUDNXMKLSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O2/c1-11-5-6-12-7-8-14(13(12)9-11)19-15-10-16(15)20-17(21)22-18(2,3)4/h5-6,9,14-16,19H,7-8,10H2,1-4H3,(H,20,21).
What are the key properties of tert-butyl N-[2-[(6-methyl-2,3-dihydro-1H-inden-1-yl)amino]cyclopropyl]carbamate?
tert-butyl N-[2-[(6-methyl-2,3-dihydro-1H-inden-1-yl)amino]cyclopropyl]carbamate has a molecular weight of 302.42 g/mol, XLogP of 3.24, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[(6-methyl-2,3-dihydro-1H-inden-1-yl)amino]cyclopropyl]carbamate is sourced from PubChem (CID 107237644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).