tert-butyl N-[2-[bis(pyridin-2-ylmethyl)amino]ethyl]carbamate

C19H26N4O2 — CID 10969935

IUPACtert-butyl N-[2-[bis(pyridin-2-ylmethyl)amino]ethyl]carbamate
SMILESCC(C)(C)OC(=O)NCCN(Cc1ccccn1)Cc1ccccn1
InChIInChI=1S/C19H26N4O2/c1-19(2,3)25-18(24)22-12-13-23(14-16-8-4-6-10-20-16)15-17-9-5-7-11-21-17/h4-11H,12-15H2,1-3H3,(H,22,24)
InChIKeyXNHOHESJJMNLJC-UHFFFAOYSA-N
MW342.44 g/mol
LogP3.00
Rot. Bonds7

About tert-butyl N-[2-[bis(pyridin-2-ylmethyl)amino]ethyl]carbamate

tert-butyl N-[2-[bis(pyridin-2-ylmethyl)amino]ethyl]carbamate (PubChem CID 10969935) has the molecular formula C19H26N4O2 and a molecular weight of 342.44 g/mol. Its IUPAC name is tert-butyl N-[2-[bis(pyridin-2-ylmethyl)amino]ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[bis(pyridin-2-ylmethyl)amino]ethyl]carbamate
PubChem CID10969935
Molecular FormulaC19H26N4O2
Molecular Weight342.44 g/mol
Exact Mass342.21
IUPAC Nametert-butyl N-[2-[bis(pyridin-2-ylmethyl)amino]ethyl]carbamate
SMILESCC(C)(C)OC(=O)NCCN(Cc1ccccn1)Cc1ccccn1
InChIInChI=1S/C19H26N4O2/c1-19(2,3)25-18(24)22-12-13-23(14-16-8-4-6-10-20-16)15-17-9-5-7-11-21-17/h4-11H,12-15H2,1-3H3,(H,22,24)
InChIKeyXNHOHESJJMNLJC-UHFFFAOYSA-N
XLogP3.00
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[bis(pyridin-2-ylmethyl)amino]ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-[bis(pyridin-2-ylmethyl)amino]ethyl]carbamate (CID 10969935) is tert-butyl N-[2-[bis(pyridin-2-ylmethyl)amino]ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[bis(pyridin-2-ylmethyl)amino]ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[bis(pyridin-2-ylmethyl)amino]ethyl]carbamate is CC(C)(C)OC(=O)NCCN(Cc1ccccn1)Cc1ccccn1.
What is the InChIKey of tert-butyl N-[2-[bis(pyridin-2-ylmethyl)amino]ethyl]carbamate?
The InChIKey is XNHOHESJJMNLJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O2/c1-19(2,3)25-18(24)22-12-13-23(14-16-8-4-6-10-20-16)15-17-9-5-7-11-21-17/h4-11H,12-15H2,1-3H3,(H,22,24).
What are the key properties of tert-butyl N-[2-[bis(pyridin-2-ylmethyl)amino]ethyl]carbamate?
tert-butyl N-[2-[bis(pyridin-2-ylmethyl)amino]ethyl]carbamate has a molecular weight of 342.44 g/mol, XLogP of 3.00, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[bis(pyridin-2-ylmethyl)amino]ethyl]carbamate is sourced from PubChem (CID 10969935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).