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

C15H25N3O2 — CID 142416682

IUPACtert-butyl N-[4-(pyridin-2-ylmethylamino)butyl]carbamate
SMILESCC(C)(C)OC(=O)NCCCCNCc1ccccn1
InChIInChI=1S/C15H25N3O2/c1-15(2,3)20-14(19)18-11-7-6-9-16-12-13-8-4-5-10-17-13/h4-5,8,10,16H,6-7,9,11-12H2,1-3H3,(H,18,19)
InChIKeySEYBZULQJDNNRB-UHFFFAOYSA-N
MW279.38 g/mol
LogP2.48
Rot. Bonds7

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

tert-butyl N-[4-(pyridin-2-ylmethylamino)butyl]carbamate (PubChem CID 142416682) has the molecular formula C15H25N3O2 and a molecular weight of 279.38 g/mol. Its IUPAC name is tert-butyl N-[4-(pyridin-2-ylmethylamino)butyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-(pyridin-2-ylmethylamino)butyl]carbamate
PubChem CID142416682
Molecular FormulaC15H25N3O2
Molecular Weight279.38 g/mol
Exact Mass279.19
IUPAC Nametert-butyl N-[4-(pyridin-2-ylmethylamino)butyl]carbamate
SMILESCC(C)(C)OC(=O)NCCCCNCc1ccccn1
InChIInChI=1S/C15H25N3O2/c1-15(2,3)20-14(19)18-11-7-6-9-16-12-13-8-4-5-10-17-13/h4-5,8,10,16H,6-7,9,11-12H2,1-3H3,(H,18,19)
InChIKeySEYBZULQJDNNRB-UHFFFAOYSA-N
XLogP2.48
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 52.48
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-[6-(pyridin-2-ylmethylamino)hexyl]carbamate
CID 58185123
tert-butyl N-[3-[[N'-methyl-N-(pyridin-2-ylmethyl)carbamimidoyl]amino]propyl]carbamate
CID 110971231
tert-butyl N-[5-methoxy-4-(pyridin-2-ylmethylamino)pentyl]carbamate
CID 103387291
tert-butyl N-[6-(benzylamino)hexyl]carbamate
CID 10913810
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-[2-[acetyl(pyridin-2-ylmethyl)amino]ethyl]carbamate
CID 113055221
tert-butyl N-[3-oxo-3-(pyridin-2-ylmethoxyamino)propyl]carbamate
CID 154760878
tert-butyl N-[4-[(pyridin-2-ylmethylamino)methyl]-1H-pyrazol-5-yl]carbamate
CID 107256122

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-(pyridin-2-ylmethylamino)butyl]carbamate?
The IUPAC name of tert-butyl N-[4-(pyridin-2-ylmethylamino)butyl]carbamate (CID 142416682) is tert-butyl N-[4-(pyridin-2-ylmethylamino)butyl]carbamate.
What is the SMILES notation for tert-butyl N-[4-(pyridin-2-ylmethylamino)butyl]carbamate?
The canonical SMILES for tert-butyl N-[4-(pyridin-2-ylmethylamino)butyl]carbamate is CC(C)(C)OC(=O)NCCCCNCc1ccccn1.
What is the InChIKey of tert-butyl N-[4-(pyridin-2-ylmethylamino)butyl]carbamate?
The InChIKey is SEYBZULQJDNNRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2/c1-15(2,3)20-14(19)18-11-7-6-9-16-12-13-8-4-5-10-17-13/h4-5,8,10,16H,6-7,9,11-12H2,1-3H3,(H,18,19).
What are the key properties of tert-butyl N-[4-(pyridin-2-ylmethylamino)butyl]carbamate?
tert-butyl N-[4-(pyridin-2-ylmethylamino)butyl]carbamate has a molecular weight of 279.38 g/mol, XLogP of 2.48, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-(pyridin-2-ylmethylamino)butyl]carbamate is sourced from PubChem (CID 142416682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).