tert-butyl N-[2-(pyridin-4-ylmethylamino)propyl]carbamate

C14H23N3O2 — CID 103387526

IUPACtert-butyl N-[2-(pyridin-4-ylmethylamino)propyl]carbamate
SMILESCC(CNC(=O)OC(C)(C)C)NCc1ccncc1
InChIInChI=1S/C14H23N3O2/c1-11(9-17-13(18)19-14(2,3)4)16-10-12-5-7-15-8-6-12/h5-8,11,16H,9-10H2,1-4H3,(H,17,18)
InChIKeyDSHOSNHCIWGUSY-UHFFFAOYSA-N
MW265.36 g/mol
LogP2.08
Rot. Bonds5

About tert-butyl N-[2-(pyridin-4-ylmethylamino)propyl]carbamate

tert-butyl N-[2-(pyridin-4-ylmethylamino)propyl]carbamate (PubChem CID 103387526) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is tert-butyl N-[2-(pyridin-4-ylmethylamino)propyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-(pyridin-4-ylmethylamino)propyl]carbamate
PubChem CID103387526
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Nametert-butyl N-[2-(pyridin-4-ylmethylamino)propyl]carbamate
SMILESCC(CNC(=O)OC(C)(C)C)NCc1ccncc1
InChIInChI=1S/C14H23N3O2/c1-11(9-17-13(18)19-14(2,3)4)16-10-12-5-7-15-8-6-12/h5-8,11,16H,9-10H2,1-4H3,(H,17,18)
InChIKeyDSHOSNHCIWGUSY-UHFFFAOYSA-N
XLogP2.08
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-(pyridin-4-ylmethylamino)propyl]carbamate?
The IUPAC name of tert-butyl N-[2-(pyridin-4-ylmethylamino)propyl]carbamate (CID 103387526) is tert-butyl N-[2-(pyridin-4-ylmethylamino)propyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-(pyridin-4-ylmethylamino)propyl]carbamate?
The canonical SMILES for tert-butyl N-[2-(pyridin-4-ylmethylamino)propyl]carbamate is CC(CNC(=O)OC(C)(C)C)NCc1ccncc1.
What is the InChIKey of tert-butyl N-[2-(pyridin-4-ylmethylamino)propyl]carbamate?
The InChIKey is DSHOSNHCIWGUSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-11(9-17-13(18)19-14(2,3)4)16-10-12-5-7-15-8-6-12/h5-8,11,16H,9-10H2,1-4H3,(H,17,18).
What are the key properties of tert-butyl N-[2-(pyridin-4-ylmethylamino)propyl]carbamate?
tert-butyl N-[2-(pyridin-4-ylmethylamino)propyl]carbamate has a molecular weight of 265.36 g/mol, XLogP of 2.08, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-(pyridin-4-ylmethylamino)propyl]carbamate is sourced from PubChem (CID 103387526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).