tert-butyl N-cyclopropyl-N-[2-[1-(5-fluoro-2-pyridinyl)ethylamino]ethyl]carbamate

C17H26FN3O2 — CID 103894803

IUPACtert-butyl N-cyclopropyl-N-[2-[1-(5-fluoro-2-pyridinyl)ethylamino]ethyl]carbamate
SMILESCC(NCCN(C(=O)OC(C)(C)C)C1CC1)c1ccc(F)cn1
InChIInChI=1S/C17H26FN3O2/c1-12(15-8-5-13(18)11-20-15)19-9-10-21(14-6-7-14)16(22)23-17(2,3)4/h5,8,11-12,14,19H,6-7,9-10H2,1-4H3
InChIKeyQLEPSTSSWZWXJQ-UHFFFAOYSA-N
MW323.41 g/mol
LogP3.27
Rot. Bonds6

About tert-butyl N-cyclopropyl-N-[2-[1-(5-fluoro-2-pyridinyl)ethylamino]ethyl]carbamate

tert-butyl N-cyclopropyl-N-[2-[1-(5-fluoro-2-pyridinyl)ethylamino]ethyl]carbamate (PubChem CID 103894803) has the molecular formula C17H26FN3O2 and a molecular weight of 323.41 g/mol. Its IUPAC name is tert-butyl N-cyclopropyl-N-[2-[1-(5-fluoro-2-pyridinyl)ethylamino]ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-cyclopropyl-N-[2-[1-(5-fluoro-2-pyridinyl)ethylamino]ethyl]carbamate
PubChem CID103894803
Molecular FormulaC17H26FN3O2
Molecular Weight323.41 g/mol
Exact Mass323.20
IUPAC Nametert-butyl N-cyclopropyl-N-[2-[1-(5-fluoro-2-pyridinyl)ethylamino]ethyl]carbamate
SMILESCC(NCCN(C(=O)OC(C)(C)C)C1CC1)c1ccc(F)cn1
InChIInChI=1S/C17H26FN3O2/c1-12(15-8-5-13(18)11-20-15)19-9-10-21(14-6-7-14)16(22)23-17(2,3)4/h5,8,11-12,14,19H,6-7,9-10H2,1-4H3
InChIKeyQLEPSTSSWZWXJQ-UHFFFAOYSA-N
XLogP3.27
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.41
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-cyclopropyl-N-[2-[1-(5-fluoro-2-pyridinyl)ethylamino]ethyl]carbamate?
The IUPAC name of tert-butyl N-cyclopropyl-N-[2-[1-(5-fluoro-2-pyridinyl)ethylamino]ethyl]carbamate (CID 103894803) is tert-butyl N-cyclopropyl-N-[2-[1-(5-fluoro-2-pyridinyl)ethylamino]ethyl]carbamate.
What is the SMILES notation for tert-butyl N-cyclopropyl-N-[2-[1-(5-fluoro-2-pyridinyl)ethylamino]ethyl]carbamate?
The canonical SMILES for tert-butyl N-cyclopropyl-N-[2-[1-(5-fluoro-2-pyridinyl)ethylamino]ethyl]carbamate is CC(NCCN(C(=O)OC(C)(C)C)C1CC1)c1ccc(F)cn1.
What is the InChIKey of tert-butyl N-cyclopropyl-N-[2-[1-(5-fluoro-2-pyridinyl)ethylamino]ethyl]carbamate?
The InChIKey is QLEPSTSSWZWXJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26FN3O2/c1-12(15-8-5-13(18)11-20-15)19-9-10-21(14-6-7-14)16(22)23-17(2,3)4/h5,8,11-12,14,19H,6-7,9-10H2,1-4H3.
What are the key properties of tert-butyl N-cyclopropyl-N-[2-[1-(5-fluoro-2-pyridinyl)ethylamino]ethyl]carbamate?
tert-butyl N-cyclopropyl-N-[2-[1-(5-fluoro-2-pyridinyl)ethylamino]ethyl]carbamate has a molecular weight of 323.41 g/mol, XLogP of 3.27, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-cyclopropyl-N-[2-[1-(5-fluoro-2-pyridinyl)ethylamino]ethyl]carbamate is sourced from PubChem (CID 103894803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).