tert-butyl N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylamino]carbamate

C17H26N2O2 — CID 107236604

IUPACtert-butyl N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylamino]carbamate
SMILESCC(NNC(=O)OC(C)(C)C)c1ccc2c(c1)CCCC2
InChIInChI=1S/C17H26N2O2/c1-12(18-19-16(20)21-17(2,3)4)14-10-9-13-7-5-6-8-15(13)11-14/h9-12,18H,5-8H2,1-4H3,(H,19,20)
InChIKeyLQRGWBOCNGKYEK-UHFFFAOYSA-N
MW290.41 g/mol
LogP3.66
Rot. Bonds3

About tert-butyl N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylamino]carbamate

tert-butyl N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylamino]carbamate (PubChem CID 107236604) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is tert-butyl N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylamino]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylamino]carbamate
PubChem CID107236604
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Nametert-butyl N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylamino]carbamate
SMILESCC(NNC(=O)OC(C)(C)C)c1ccc2c(c1)CCCC2
InChIInChI=1S/C17H26N2O2/c1-12(18-19-16(20)21-17(2,3)4)14-10-9-13-7-5-6-8-15(13)11-14/h9-12,18H,5-8H2,1-4H3,(H,19,20)
InChIKeyLQRGWBOCNGKYEK-UHFFFAOYSA-N
XLogP3.66
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-[1-(3,4-dichlorophenyl)ethylamino]carbamate
CID 107236972
4-[(1R)-1-[2-[(2-methylpropan-2-yl)oxycarbonyl]hydrazinyl]ethyl]benzoic acid
CID 124664887
tert-butyl N-[1-(4-propylphenyl)ethylamino]carbamate
CID 107236879
tert-butyl N-(1-pyridin-4-ylethylamino)carbamate
CID 16732605
2-methyl-2-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylamino]propanamide
CID 61220351
tert-butyl N-[1-(4-methyl-3-nitrophenyl)ethylamino]carbamate
CID 107236963
tert-butyl N-[2-[1-(2,3-dihydro-1H-inden-5-yl)ethylamino]ethyl]-N-methylcarbamate
CID 107245057
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
3-methyl-N'-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]benzohydrazide;molecular hydrogen
CID 170976831
2-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylamino]propanoic acid
CID 54959578
2,2-dimethyl-3-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylamino]propanamide
CID 103917195

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylamino]carbamate?
The IUPAC name of tert-butyl N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylamino]carbamate (CID 107236604) is tert-butyl N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylamino]carbamate.
What is the SMILES notation for tert-butyl N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylamino]carbamate?
The canonical SMILES for tert-butyl N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylamino]carbamate is CC(NNC(=O)OC(C)(C)C)c1ccc2c(c1)CCCC2.
What is the InChIKey of tert-butyl N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylamino]carbamate?
The InChIKey is LQRGWBOCNGKYEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-12(18-19-16(20)21-17(2,3)4)14-10-9-13-7-5-6-8-15(13)11-14/h9-12,18H,5-8H2,1-4H3,(H,19,20).
What are the key properties of tert-butyl N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylamino]carbamate?
tert-butyl N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylamino]carbamate has a molecular weight of 290.41 g/mol, XLogP of 3.66, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylamino]carbamate is sourced from PubChem (CID 107236604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).