tert-butyl N-[2-(1-pyridin-3-ylethylamino)cyclopentyl]carbamate

C17H27N3O2 — CID 107243829

IUPACtert-butyl N-[2-(1-pyridin-3-ylethylamino)cyclopentyl]carbamate
SMILESCC(NC1CCCC1NC(=O)OC(C)(C)C)c1cccnc1
InChIInChI=1S/C17H27N3O2/c1-12(13-7-6-10-18-11-13)19-14-8-5-9-15(14)20-16(21)22-17(2,3)4/h6-7,10-12,14-15,19H,5,8-9H2,1-4H3,(H,20,21)
InChIKeyVWQJITOIFRCFDH-UHFFFAOYSA-N
MW305.42 g/mol
LogP3.18
Rot. Bonds4

About tert-butyl N-[2-(1-pyridin-3-ylethylamino)cyclopentyl]carbamate

tert-butyl N-[2-(1-pyridin-3-ylethylamino)cyclopentyl]carbamate (PubChem CID 107243829) has the molecular formula C17H27N3O2 and a molecular weight of 305.42 g/mol. Its IUPAC name is tert-butyl N-[2-(1-pyridin-3-ylethylamino)cyclopentyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-(1-pyridin-3-ylethylamino)cyclopentyl]carbamate
PubChem CID107243829
Molecular FormulaC17H27N3O2
Molecular Weight305.42 g/mol
Exact Mass305.21
IUPAC Nametert-butyl N-[2-(1-pyridin-3-ylethylamino)cyclopentyl]carbamate
SMILESCC(NC1CCCC1NC(=O)OC(C)(C)C)c1cccnc1
InChIInChI=1S/C17H27N3O2/c1-12(13-7-6-10-18-11-13)19-14-8-5-9-15(14)20-16(21)22-17(2,3)4/h6-7,10-12,14-15,19H,5,8-9H2,1-4H3,(H,20,21)
InChIKeyVWQJITOIFRCFDH-UHFFFAOYSA-N
XLogP3.18
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

trans-(1S,2S)-2-(1-pyridin-3-ylethylamino)cyclopentan-1-ol
CID 102733105
2-[[(1S)-1-pyridin-3-ylethyl]amino]cyclohexan-1-ol
CID 81404938
tert-butyl 4-[[(1S)-1-pyridin-3-ylethyl]amino]azepane-1-carboxylate
CID 103982627
(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-pyridin-3-ylacetate
CID 26601141
tert-butyl N-[(1S,2R)-2-(propan-2-ylamino)cyclohexyl]carbamate
CID 96555526
tert-butyl N-[(1R,2R)-2-[1-(1,3-thiazol-2-yl)ethylamino]cyclohexyl]carbamate
CID 75441287
2-ethyl-N-[(1R)-1-pyridin-3-ylethyl]cyclopentan-1-amine
CID 104865522
tert-butyl N-[(2S)-1-[cyclopropyl-[(1R)-1-pyridin-3-ylethyl]amino]-1-oxopropan-2-yl]carbamate
CID 95293877
tert-butyl N-(2-pyridin-3-ylcyclopropyl)carbamate
CID 78057434
tert-butyl N-[2-[(3-hydroxy-3-methylbutan-2-yl)amino]cyclopentyl]carbamate
CID 107243876
(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-pyridin-3-ylacetic acid
CID 26601142
tert-butyl N-[2-(1-pyrazin-2-ylethylamino)cyclopropyl]carbamate
CID 107237510

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-(1-pyridin-3-ylethylamino)cyclopentyl]carbamate?
The IUPAC name of tert-butyl N-[2-(1-pyridin-3-ylethylamino)cyclopentyl]carbamate (CID 107243829) is tert-butyl N-[2-(1-pyridin-3-ylethylamino)cyclopentyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-(1-pyridin-3-ylethylamino)cyclopentyl]carbamate?
The canonical SMILES for tert-butyl N-[2-(1-pyridin-3-ylethylamino)cyclopentyl]carbamate is CC(NC1CCCC1NC(=O)OC(C)(C)C)c1cccnc1.
What is the InChIKey of tert-butyl N-[2-(1-pyridin-3-ylethylamino)cyclopentyl]carbamate?
The InChIKey is VWQJITOIFRCFDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O2/c1-12(13-7-6-10-18-11-13)19-14-8-5-9-15(14)20-16(21)22-17(2,3)4/h6-7,10-12,14-15,19H,5,8-9H2,1-4H3,(H,20,21).
What are the key properties of tert-butyl N-[2-(1-pyridin-3-ylethylamino)cyclopentyl]carbamate?
tert-butyl N-[2-(1-pyridin-3-ylethylamino)cyclopentyl]carbamate has a molecular weight of 305.42 g/mol, XLogP of 3.18, 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-(1-pyridin-3-ylethylamino)cyclopentyl]carbamate is sourced from PubChem (CID 107243829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).