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

C17H27N3O2 — CID 107245384

IUPACtert-butyl N-[2-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-ylamino)ethyl]-N-ethylcarbamate
SMILESCCN(CCNC1CCc2cccnc21)C(=O)OC(C)(C)C
InChIInChI=1S/C17H27N3O2/c1-5-20(16(21)22-17(2,3)4)12-11-18-14-9-8-13-7-6-10-19-15(13)14/h6-7,10,14,18H,5,8-9,11-12H2,1-4H3
InChIKeyGBXHXEKDNNWCLP-UHFFFAOYSA-N
MW305.42 g/mol
LogP2.92
Rot. Bonds5

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

tert-butyl N-[2-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-ylamino)ethyl]-N-ethylcarbamate (PubChem CID 107245384) has the molecular formula C17H27N3O2 and a molecular weight of 305.42 g/mol. Its IUPAC name is tert-butyl N-[2-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-ylamino)ethyl]-N-ethylcarbamate.

Molecular Properties

Compound Nametert-butyl N-[2-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-ylamino)ethyl]-N-ethylcarbamate
PubChem CID107245384
Molecular FormulaC17H27N3O2
Molecular Weight305.42 g/mol
Exact Mass305.21
IUPAC Nametert-butyl N-[2-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-ylamino)ethyl]-N-ethylcarbamate
SMILESCCN(CCNC1CCc2cccnc21)C(=O)OC(C)(C)C
InChIInChI=1S/C17H27N3O2/c1-5-20(16(21)22-17(2,3)4)12-11-18-14-9-8-13-7-6-10-19-15(13)14/h6-7,10,14,18H,5,8-9,11-12H2,1-4H3
InChIKeyGBXHXEKDNNWCLP-UHFFFAOYSA-N
XLogP2.92
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

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Related Compounds

tert-butyl N-[2-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-ylamino)ethyl]-N-methylcarbamate
CID 107245083
tert-butyl N-[(E)-4-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-ylamino)but-2-enyl]carbamate
CID 107252998
tert-butyl N-[2-(5,6,7,8-tetrahydroquinolin-8-ylamino)ethyl]carbamate
CID 86621567
N',N'-diethyl-N-[(8R)-5,6,7,8-tetrahydroquinolin-8-yl]ethane-1,2-diamine
CID 97132888
tert-butyl N-ethyl-N-[2-(2-methyl-2-pyrimidin-2-ylhydrazinyl)ethyl]carbamate
CID 70848374
N-but-3-ynyl-6,7-dihydro-5H-cyclopenta[b]pyridin-7-amine
CID 102773823
3-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-ylamino)-N-propan-2-ylpropanamide
CID 102774214
tert-butyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-(5,6,7,8-tetrahydroquinolin-8-ylamino)pentanoate
CID 69157433
2-[2-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-ylamino)ethoxy]ethanol
CID 102772782
N-(3-methylsulfonylpropyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-7-amine
CID 102773526
tert-butyl N-ethyl-N-[(6S,7R)-7-methyl-6,7-dihydro-5H-cyclopenta[b]pyridin-6-yl]carbamate
CID 177053667
5-(5,6,7,8-tetrahydroquinolin-8-ylamino)pentyl N-tert-butylcarbamate
CID 91500558

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-ylamino)ethyl]-N-ethylcarbamate?
The IUPAC name of tert-butyl N-[2-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-ylamino)ethyl]-N-ethylcarbamate (CID 107245384) is tert-butyl N-[2-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-ylamino)ethyl]-N-ethylcarbamate.
What is the SMILES notation for tert-butyl N-[2-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-ylamino)ethyl]-N-ethylcarbamate?
The canonical SMILES for tert-butyl N-[2-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-ylamino)ethyl]-N-ethylcarbamate is CCN(CCNC1CCc2cccnc21)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[2-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-ylamino)ethyl]-N-ethylcarbamate?
The InChIKey is GBXHXEKDNNWCLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O2/c1-5-20(16(21)22-17(2,3)4)12-11-18-14-9-8-13-7-6-10-19-15(13)14/h6-7,10,14,18H,5,8-9,11-12H2,1-4H3.
What are the key properties of tert-butyl N-[2-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-ylamino)ethyl]-N-ethylcarbamate?
tert-butyl N-[2-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-ylamino)ethyl]-N-ethylcarbamate has a molecular weight of 305.42 g/mol, XLogP of 2.92, 5 rotatable bonds, 1 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-7-ylamino)ethyl]-N-ethylcarbamate is sourced from PubChem (CID 107245384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).