tert-butyl N-(4-aminocyclohexa-2,4-dien-1-yl)carbamate

C11H18N2O2 — CID 140648922

IUPACtert-butyl N-(4-aminocyclohexa-2,4-dien-1-yl)carbamate
SMILESCC(C)(C)OC(=O)NC1C=CC(N)=CC1
InChIInChI=1S/C11H18N2O2/c1-11(2,3)15-10(14)13-9-6-4-8(12)5-7-9/h4-6,9H,7,12H2,1-3H3,(H,13,14)
InChIKeyQTOUGDLBVFQDGM-UHFFFAOYSA-N
MW210.28 g/mol
LogP1.68
Rot. Bonds1

About tert-butyl N-(4-aminocyclohexa-2,4-dien-1-yl)carbamate

tert-butyl N-(4-aminocyclohexa-2,4-dien-1-yl)carbamate (PubChem CID 140648922) has the molecular formula C11H18N2O2 and a molecular weight of 210.28 g/mol. Its IUPAC name is tert-butyl N-(4-aminocyclohexa-2,4-dien-1-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(4-aminocyclohexa-2,4-dien-1-yl)carbamate
PubChem CID140648922
Molecular FormulaC11H18N2O2
Molecular Weight210.28 g/mol
Exact Mass210.14
IUPAC Nametert-butyl N-(4-aminocyclohexa-2,4-dien-1-yl)carbamate
SMILESCC(C)(C)OC(=O)NC1C=CC(N)=CC1
InChIInChI=1S/C11H18N2O2/c1-11(2,3)15-10(14)13-9-6-4-8(12)5-7-9/h4-6,9H,7,12H2,1-3H3,(H,13,14)
InChIKeyQTOUGDLBVFQDGM-UHFFFAOYSA-N
XLogP1.68
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 101097187
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CID 21745723
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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(4-aminocyclohexa-2,4-dien-1-yl)carbamate?
The IUPAC name of tert-butyl N-(4-aminocyclohexa-2,4-dien-1-yl)carbamate (CID 140648922) is tert-butyl N-(4-aminocyclohexa-2,4-dien-1-yl)carbamate.
What is the SMILES notation for tert-butyl N-(4-aminocyclohexa-2,4-dien-1-yl)carbamate?
The canonical SMILES for tert-butyl N-(4-aminocyclohexa-2,4-dien-1-yl)carbamate is CC(C)(C)OC(=O)NC1C=CC(N)=CC1.
What is the InChIKey of tert-butyl N-(4-aminocyclohexa-2,4-dien-1-yl)carbamate?
The InChIKey is QTOUGDLBVFQDGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2/c1-11(2,3)15-10(14)13-9-6-4-8(12)5-7-9/h4-6,9H,7,12H2,1-3H3,(H,13,14).
What are the key properties of tert-butyl N-(4-aminocyclohexa-2,4-dien-1-yl)carbamate?
tert-butyl N-(4-aminocyclohexa-2,4-dien-1-yl)carbamate has a molecular weight of 210.28 g/mol, XLogP of 1.68, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(4-aminocyclohexa-2,4-dien-1-yl)carbamate is sourced from PubChem (CID 140648922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).