tert-butyl N-[2-(6,7-dihydro-5H-cyclopenta[b]pyridin-2-ylamino)ethyl]carbamate

C15H23N3O2 — CID 114518201

IUPACtert-butyl N-[2-(6,7-dihydro-5H-cyclopenta[b]pyridin-2-ylamino)ethyl]carbamate
SMILESCC(C)(C)OC(=O)NCCNc1ccc2c(n1)CCC2
InChIInChI=1S/C15H23N3O2/c1-15(2,3)20-14(19)17-10-9-16-13-8-7-11-5-4-6-12(11)18-13/h7-8H,4-6,9-10H2,1-3H3,(H,16,18)(H,17,19)
InChIKeyLLWSYIYSHOFYSF-UHFFFAOYSA-N
MW277.37 g/mol
LogP2.51
Rot. Bonds4

About tert-butyl N-[2-(6,7-dihydro-5H-cyclopenta[b]pyridin-2-ylamino)ethyl]carbamate

tert-butyl N-[2-(6,7-dihydro-5H-cyclopenta[b]pyridin-2-ylamino)ethyl]carbamate (PubChem CID 114518201) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is tert-butyl N-[2-(6,7-dihydro-5H-cyclopenta[b]pyridin-2-ylamino)ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-(6,7-dihydro-5H-cyclopenta[b]pyridin-2-ylamino)ethyl]carbamate
PubChem CID114518201
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Nametert-butyl N-[2-(6,7-dihydro-5H-cyclopenta[b]pyridin-2-ylamino)ethyl]carbamate
SMILESCC(C)(C)OC(=O)NCCNc1ccc2c(n1)CCC2
InChIInChI=1S/C15H23N3O2/c1-15(2,3)20-14(19)17-10-9-16-13-8-7-11-5-4-6-12(11)18-13/h7-8H,4-6,9-10H2,1-3H3,(H,16,18)(H,17,19)
InChIKeyLLWSYIYSHOFYSF-UHFFFAOYSA-N
XLogP2.51
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N-[2-(5,6,7,8,9,10-hexahydrocycloocta[d]pyrimidin-2-ylamino)ethyl]carbamate
CID 103278697
methyl 2-methyl-6-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylamino]pyridine-3-carboxylate
CID 103879996
4-[(6,7-dihydro-5H-cyclopenta[b]pyridin-2-ylamino)methyl]benzoic acid
CID 122035144
tert-butyl N-[2-[(5-fluoro-2-pyridinyl)amino]ethyl]carbamate
CID 114518182
N-[2-(trifluoromethylsulfanyl)ethyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-2-amine
CID 106430862
N-(2-phenylethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-amine
CID 113390795
N-(3-methylbut-2-enyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-amine
CID 106191346
N-(5,6,7,8-tetrahydroquinolin-2-yl)acetamide
CID 10035435
tert-butyl N-[2-(pyridazin-3-ylamino)ethyl]carbamate
CID 115657296
tert-butyl N-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]carbamate
CID 54085210
tert-butyl N-[2-[[6-(methylcarbamoyl)pyridazin-3-yl]amino]ethyl]carbamate
CID 115669050
tert-butyl N-[2-[(6-ethoxy-2-pyridinyl)amino]ethyl]carbamate
CID 115735888

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-(6,7-dihydro-5H-cyclopenta[b]pyridin-2-ylamino)ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-(6,7-dihydro-5H-cyclopenta[b]pyridin-2-ylamino)ethyl]carbamate (CID 114518201) is tert-butyl N-[2-(6,7-dihydro-5H-cyclopenta[b]pyridin-2-ylamino)ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-(6,7-dihydro-5H-cyclopenta[b]pyridin-2-ylamino)ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-(6,7-dihydro-5H-cyclopenta[b]pyridin-2-ylamino)ethyl]carbamate is CC(C)(C)OC(=O)NCCNc1ccc2c(n1)CCC2.
What is the InChIKey of tert-butyl N-[2-(6,7-dihydro-5H-cyclopenta[b]pyridin-2-ylamino)ethyl]carbamate?
The InChIKey is LLWSYIYSHOFYSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-15(2,3)20-14(19)17-10-9-16-13-8-7-11-5-4-6-12(11)18-13/h7-8H,4-6,9-10H2,1-3H3,(H,16,18)(H,17,19).
What are the key properties of tert-butyl N-[2-(6,7-dihydro-5H-cyclopenta[b]pyridin-2-ylamino)ethyl]carbamate?
tert-butyl N-[2-(6,7-dihydro-5H-cyclopenta[b]pyridin-2-ylamino)ethyl]carbamate has a molecular weight of 277.37 g/mol, XLogP of 2.51, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-(6,7-dihydro-5H-cyclopenta[b]pyridin-2-ylamino)ethyl]carbamate is sourced from PubChem (CID 114518201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).