tert-butyl N-[6-(pyridin-2-ylmethylamino)hexyl]carbamate

C17H29N3O2 — CID 58185123

IUPACtert-butyl N-[6-(pyridin-2-ylmethylamino)hexyl]carbamate
SMILESCC(C)(C)OC(=O)NCCCCCCNCc1ccccn1
InChIInChI=1S/C17H29N3O2/c1-17(2,3)22-16(21)20-13-8-5-4-7-11-18-14-15-10-6-9-12-19-15/h6,9-10,12,18H,4-5,7-8,11,13-14H2,1-3H3,(H,20,21)
InChIKeyIQWUPDHEAVPMIY-UHFFFAOYSA-N
MW307.44 g/mol
LogP3.26
Rot. Bonds9

About tert-butyl N-[6-(pyridin-2-ylmethylamino)hexyl]carbamate

tert-butyl N-[6-(pyridin-2-ylmethylamino)hexyl]carbamate (PubChem CID 58185123) has the molecular formula C17H29N3O2 and a molecular weight of 307.44 g/mol. Its IUPAC name is tert-butyl N-[6-(pyridin-2-ylmethylamino)hexyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[6-(pyridin-2-ylmethylamino)hexyl]carbamate
PubChem CID58185123
Molecular FormulaC17H29N3O2
Molecular Weight307.44 g/mol
Exact Mass307.23
IUPAC Nametert-butyl N-[6-(pyridin-2-ylmethylamino)hexyl]carbamate
SMILESCC(C)(C)OC(=O)NCCCCCCNCc1ccccn1
InChIInChI=1S/C17H29N3O2/c1-17(2,3)22-16(21)20-13-8-5-4-7-11-18-14-15-10-6-9-12-19-15/h6,9-10,12,18H,4-5,7-8,11,13-14H2,1-3H3,(H,20,21)
InChIKeyIQWUPDHEAVPMIY-UHFFFAOYSA-N
XLogP3.26
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.44
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-[4-(pyridin-2-ylmethylamino)butyl]carbamate
CID 142416682
tert-butyl N-[3-[[N'-methyl-N-(pyridin-2-ylmethyl)carbamimidoyl]amino]propyl]carbamate
CID 110971231
tert-butyl N-[6-(benzylamino)hexyl]carbamate
CID 10913810
tert-butyl N-[5-methoxy-4-(pyridin-2-ylmethylamino)pentyl]carbamate
CID 103387291
tert-butyl N-[2-[4-(pyridin-2-ylmethylamino)phenyl]ethyl]carbamate
CID 173054324
tert-butyl N-[2-[[N'-methyl-N-(pyridin-2-ylmethyl)carbamimidoyl]amino]ethyl]carbamate;hydroiodide
CID 110971226
4-[(2-methylpropan-2-yl)oxycarbonylamino]butyl-tripyridin-2-ylphosphanium
CID 159133812
tert-butyl N-[6-[(pyridin-2-ylmethylamino)methyl]-2-pyridinyl]carbamate
CID 166911253
tert-butyl N-[2-(pyridin-2-ylmethylamino)hexyl]carbamate
CID 103753218
tert-butyl N-[6-[6-[(2-methylpropan-2-yl)oxycarbonylamino]hexylamino]hexyl]carbamate
CID 15570048
tert-butyl N-[2-[acetyl(pyridin-2-ylmethyl)amino]ethyl]carbamate
CID 113055221
tert-butyl N-[3-oxo-3-(pyridin-2-ylmethoxyamino)propyl]carbamate
CID 154760878

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[6-(pyridin-2-ylmethylamino)hexyl]carbamate?
The IUPAC name of tert-butyl N-[6-(pyridin-2-ylmethylamino)hexyl]carbamate (CID 58185123) is tert-butyl N-[6-(pyridin-2-ylmethylamino)hexyl]carbamate.
What is the SMILES notation for tert-butyl N-[6-(pyridin-2-ylmethylamino)hexyl]carbamate?
The canonical SMILES for tert-butyl N-[6-(pyridin-2-ylmethylamino)hexyl]carbamate is CC(C)(C)OC(=O)NCCCCCCNCc1ccccn1.
What is the InChIKey of tert-butyl N-[6-(pyridin-2-ylmethylamino)hexyl]carbamate?
The InChIKey is IQWUPDHEAVPMIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O2/c1-17(2,3)22-16(21)20-13-8-5-4-7-11-18-14-15-10-6-9-12-19-15/h6,9-10,12,18H,4-5,7-8,11,13-14H2,1-3H3,(H,20,21).
What are the key properties of tert-butyl N-[6-(pyridin-2-ylmethylamino)hexyl]carbamate?
tert-butyl N-[6-(pyridin-2-ylmethylamino)hexyl]carbamate has a molecular weight of 307.44 g/mol, XLogP of 3.26, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[6-(pyridin-2-ylmethylamino)hexyl]carbamate is sourced from PubChem (CID 58185123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).