tert-butyl N-[7-(pentylamino)-1,2,3,4-tetrahydronaphthalen-2-yl]carbamate

C20H32N2O2 — CID 67920486

IUPACtert-butyl N-[7-(pentylamino)-1,2,3,4-tetrahydronaphthalen-2-yl]carbamate
SMILESCCCCCNc1ccc2c(c1)CC(NC(=O)OC(C)(C)C)CC2
InChIInChI=1S/C20H32N2O2/c1-5-6-7-12-21-17-10-8-15-9-11-18(14-16(15)13-17)22-19(23)24-20(2,3)4/h8,10,13,18,21H,5-7,9,11-12,14H2,1-4H3,(H,22,23)
InChIKeyQRQSRWQDQGLUHB-UHFFFAOYSA-N
MW332.49 g/mol
LogP4.67
Rot. Bonds6

About tert-butyl N-[7-(pentylamino)-1,2,3,4-tetrahydronaphthalen-2-yl]carbamate

tert-butyl N-[7-(pentylamino)-1,2,3,4-tetrahydronaphthalen-2-yl]carbamate (PubChem CID 67920486) has the molecular formula C20H32N2O2 and a molecular weight of 332.49 g/mol. Its IUPAC name is tert-butyl N-[7-(pentylamino)-1,2,3,4-tetrahydronaphthalen-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[7-(pentylamino)-1,2,3,4-tetrahydronaphthalen-2-yl]carbamate
PubChem CID67920486
Molecular FormulaC20H32N2O2
Molecular Weight332.49 g/mol
Exact Mass332.25
IUPAC Nametert-butyl N-[7-(pentylamino)-1,2,3,4-tetrahydronaphthalen-2-yl]carbamate
SMILESCCCCCNc1ccc2c(c1)CC(NC(=O)OC(C)(C)C)CC2
InChIInChI=1S/C20H32N2O2/c1-5-6-7-12-21-17-10-8-15-9-11-18(14-16(15)13-17)22-19(23)24-20(2,3)4/h8,10,13,18,21H,5-7,9,11-12,14H2,1-4H3,(H,22,23)
InChIKeyQRQSRWQDQGLUHB-UHFFFAOYSA-N
XLogP4.67
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.49
LogP ≤ 54.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[7-(pentylamino)-1,2,3,4-tetrahydronaphthalen-2-yl]carbamate?
The IUPAC name of tert-butyl N-[7-(pentylamino)-1,2,3,4-tetrahydronaphthalen-2-yl]carbamate (CID 67920486) is tert-butyl N-[7-(pentylamino)-1,2,3,4-tetrahydronaphthalen-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[7-(pentylamino)-1,2,3,4-tetrahydronaphthalen-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[7-(pentylamino)-1,2,3,4-tetrahydronaphthalen-2-yl]carbamate is CCCCCNc1ccc2c(c1)CC(NC(=O)OC(C)(C)C)CC2.
What is the InChIKey of tert-butyl N-[7-(pentylamino)-1,2,3,4-tetrahydronaphthalen-2-yl]carbamate?
The InChIKey is QRQSRWQDQGLUHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N2O2/c1-5-6-7-12-21-17-10-8-15-9-11-18(14-16(15)13-17)22-19(23)24-20(2,3)4/h8,10,13,18,21H,5-7,9,11-12,14H2,1-4H3,(H,22,23).
What are the key properties of tert-butyl N-[7-(pentylamino)-1,2,3,4-tetrahydronaphthalen-2-yl]carbamate?
tert-butyl N-[7-(pentylamino)-1,2,3,4-tetrahydronaphthalen-2-yl]carbamate has a molecular weight of 332.49 g/mol, XLogP of 4.67, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[7-(pentylamino)-1,2,3,4-tetrahydronaphthalen-2-yl]carbamate is sourced from PubChem (CID 67920486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).