tert-butyl N-[2-[1-(2,3-dihydro-1H-inden-5-yl)ethylamino]ethyl]-N-methylcarbamate

C19H30N2O2 — CID 107245057

IUPACtert-butyl N-[2-[1-(2,3-dihydro-1H-inden-5-yl)ethylamino]ethyl]-N-methylcarbamate
SMILESCC(NCCN(C)C(=O)OC(C)(C)C)c1ccc2c(c1)CCC2
InChIInChI=1S/C19H30N2O2/c1-14(16-10-9-15-7-6-8-17(15)13-16)20-11-12-21(5)18(22)23-19(2,3)4/h9-10,13-14,20H,6-8,11-12H2,1-5H3
InChIKeyHXAIOMPSPXBYCW-UHFFFAOYSA-N
MW318.46 g/mol
LogP3.69
Rot. Bonds5

About tert-butyl N-[2-[1-(2,3-dihydro-1H-inden-5-yl)ethylamino]ethyl]-N-methylcarbamate

tert-butyl N-[2-[1-(2,3-dihydro-1H-inden-5-yl)ethylamino]ethyl]-N-methylcarbamate (PubChem CID 107245057) has the molecular formula C19H30N2O2 and a molecular weight of 318.46 g/mol. Its IUPAC name is tert-butyl N-[2-[1-(2,3-dihydro-1H-inden-5-yl)ethylamino]ethyl]-N-methylcarbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[1-(2,3-dihydro-1H-inden-5-yl)ethylamino]ethyl]-N-methylcarbamate
PubChem CID107245057
Molecular FormulaC19H30N2O2
Molecular Weight318.46 g/mol
Exact Mass318.23
IUPAC Nametert-butyl N-[2-[1-(2,3-dihydro-1H-inden-5-yl)ethylamino]ethyl]-N-methylcarbamate
SMILESCC(NCCN(C)C(=O)OC(C)(C)C)c1ccc2c(c1)CCC2
InChIInChI=1S/C19H30N2O2/c1-14(16-10-9-15-7-6-8-17(15)13-16)20-11-12-21(5)18(22)23-19(2,3)4/h9-10,13-14,20H,6-8,11-12H2,1-5H3
InChIKeyHXAIOMPSPXBYCW-UHFFFAOYSA-N
XLogP3.69
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.46
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-N',N'-dimethylethane-1,2-diamine
CID 43200388
tert-butyl N-[2-[1-(4-cyanophenyl)ethylamino]ethyl]-N-methylcarbamate
CID 103921202
N,N-dimethyl-2-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylamino]acetamide
CID 43214735
tert-butyl N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylamino]carbamate
CID 107236604
2-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylamino]ethanol
CID 43151079
tert-butyl N-[2-[1-(2-hydroxy-4-methoxyphenyl)ethylamino]ethyl]-N-methylcarbamate
CID 104582196
tert-butyl N-[2-(1-cyclohexylethylamino)ethyl]-N-methylcarbamate
CID 103729545
N-(2-cyclopentylethyl)-1-(2,3-dihydro-1H-inden-5-yl)ethanamine
CID 63450607
2,2-dimethyl-3-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylamino]propanamide
CID 103917195
N-(2-propan-2-yloxyethyl)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanamine
CID 115574841
N-[(1R)-1-(2,3-dihydro-1H-inden-5-yl)ethyl]-2,2-dimethylpropanamide
CID 94487783
N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-2,2-dimethylpropanamide
CID 133185989

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[1-(2,3-dihydro-1H-inden-5-yl)ethylamino]ethyl]-N-methylcarbamate?
The IUPAC name of tert-butyl N-[2-[1-(2,3-dihydro-1H-inden-5-yl)ethylamino]ethyl]-N-methylcarbamate (CID 107245057) is tert-butyl N-[2-[1-(2,3-dihydro-1H-inden-5-yl)ethylamino]ethyl]-N-methylcarbamate.
What is the SMILES notation for tert-butyl N-[2-[1-(2,3-dihydro-1H-inden-5-yl)ethylamino]ethyl]-N-methylcarbamate?
The canonical SMILES for tert-butyl N-[2-[1-(2,3-dihydro-1H-inden-5-yl)ethylamino]ethyl]-N-methylcarbamate is CC(NCCN(C)C(=O)OC(C)(C)C)c1ccc2c(c1)CCC2.
What is the InChIKey of tert-butyl N-[2-[1-(2,3-dihydro-1H-inden-5-yl)ethylamino]ethyl]-N-methylcarbamate?
The InChIKey is HXAIOMPSPXBYCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O2/c1-14(16-10-9-15-7-6-8-17(15)13-16)20-11-12-21(5)18(22)23-19(2,3)4/h9-10,13-14,20H,6-8,11-12H2,1-5H3.
What are the key properties of tert-butyl N-[2-[1-(2,3-dihydro-1H-inden-5-yl)ethylamino]ethyl]-N-methylcarbamate?
tert-butyl N-[2-[1-(2,3-dihydro-1H-inden-5-yl)ethylamino]ethyl]-N-methylcarbamate has a molecular weight of 318.46 g/mol, XLogP of 3.69, 5 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-(2,3-dihydro-1H-inden-5-yl)ethylamino]ethyl]-N-methylcarbamate is sourced from PubChem (CID 107245057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).