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

C17H29N3O2 — CID 103753218

IUPACtert-butyl N-[2-(pyridin-2-ylmethylamino)hexyl]carbamate
SMILESCCCCC(CNC(=O)OC(C)(C)C)NCc1ccccn1
InChIInChI=1S/C17H29N3O2/c1-5-6-9-15(13-20-16(21)22-17(2,3)4)19-12-14-10-7-8-11-18-14/h7-8,10-11,15,19H,5-6,9,12-13H2,1-4H3,(H,20,21)
InChIKeyYRTNPDOEHUNPOD-UHFFFAOYSA-N
MW307.44 g/mol
LogP3.25
Rot. Bonds8

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

tert-butyl N-[2-(pyridin-2-ylmethylamino)hexyl]carbamate (PubChem CID 103753218) has the molecular formula C17H29N3O2 and a molecular weight of 307.44 g/mol. Its IUPAC name is tert-butyl N-[2-(pyridin-2-ylmethylamino)hexyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-(pyridin-2-ylmethylamino)hexyl]carbamate
PubChem CID103753218
Molecular FormulaC17H29N3O2
Molecular Weight307.44 g/mol
Exact Mass307.23
IUPAC Nametert-butyl N-[2-(pyridin-2-ylmethylamino)hexyl]carbamate
SMILESCCCCC(CNC(=O)OC(C)(C)C)NCc1ccccn1
InChIInChI=1S/C17H29N3O2/c1-5-6-9-15(13-20-16(21)22-17(2,3)4)19-12-14-10-7-8-11-18-14/h7-8,10-11,15,19H,5-6,9,12-13H2,1-4H3,(H,20,21)
InChIKeyYRTNPDOEHUNPOD-UHFFFAOYSA-N
XLogP3.25
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.44
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[5-methoxy-4-(pyridin-2-ylmethylamino)pentyl]carbamate
CID 103387291
tert-butyl N-[2-[(6-methyl-3-pyridinyl)methylamino]hexyl]carbamate
CID 104756511
tert-butyl N-[2-(butylamino)hexyl]carbamate
CID 107256535
tert-butyl N-[2-[(2-methyl-1H-imidazol-5-yl)methylamino]hexyl]carbamate
CID 103753203
tert-butyl N-[4-(pyridin-2-ylmethylamino)butyl]carbamate
CID 142416682
tert-butyl N-[6-(pyridin-2-ylmethylamino)hexyl]carbamate
CID 58185123
tert-butyl N-[2-[(5-bromo-3-pyridinyl)methylamino]hexyl]carbamate
CID 104857007
tert-butyl N-[2-[(3-aminothiophen-2-yl)methylamino]hexyl]carbamate
CID 107256585
tert-butyl N-[3-methyl-1-oxo-1-(pyridin-2-ylmethylamino)butan-2-yl]carbamate
CID 14774478
tert-butyl N-[3-[[N'-methyl-N-(pyridin-2-ylmethyl)carbamimidoyl]amino]propyl]carbamate
CID 110971231
tert-butyl N-[2-[(3,5-dibromo-2-pyridinyl)methylamino]pentyl]carbamate
CID 107253827
tert-butyl N-[2-[4-(pyridin-2-ylmethylamino)phenyl]ethyl]carbamate
CID 173054324

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-(pyridin-2-ylmethylamino)hexyl]carbamate?
The IUPAC name of tert-butyl N-[2-(pyridin-2-ylmethylamino)hexyl]carbamate (CID 103753218) is tert-butyl N-[2-(pyridin-2-ylmethylamino)hexyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-(pyridin-2-ylmethylamino)hexyl]carbamate?
The canonical SMILES for tert-butyl N-[2-(pyridin-2-ylmethylamino)hexyl]carbamate is CCCCC(CNC(=O)OC(C)(C)C)NCc1ccccn1.
What is the InChIKey of tert-butyl N-[2-(pyridin-2-ylmethylamino)hexyl]carbamate?
The InChIKey is YRTNPDOEHUNPOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O2/c1-5-6-9-15(13-20-16(21)22-17(2,3)4)19-12-14-10-7-8-11-18-14/h7-8,10-11,15,19H,5-6,9,12-13H2,1-4H3,(H,20,21).
What are the key properties of tert-butyl N-[2-(pyridin-2-ylmethylamino)hexyl]carbamate?
tert-butyl N-[2-(pyridin-2-ylmethylamino)hexyl]carbamate has a molecular weight of 307.44 g/mol, XLogP of 3.25, 8 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-2-ylmethylamino)hexyl]carbamate is sourced from PubChem (CID 103753218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).