tert-butyl N-[2-[(6-methyl-3-pyridinyl)methylamino]hexyl]carbamate

C18H31N3O2 — CID 104756511

IUPACtert-butyl N-[2-[(6-methyl-3-pyridinyl)methylamino]hexyl]carbamate
SMILESCCCCC(CNC(=O)OC(C)(C)C)NCc1ccc(C)nc1
InChIInChI=1S/C18H31N3O2/c1-6-7-8-16(13-21-17(22)23-18(3,4)5)20-12-15-10-9-14(2)19-11-15/h9-11,16,20H,6-8,12-13H2,1-5H3,(H,21,22)
InChIKeyOJARREKKULVRCW-UHFFFAOYSA-N
MW321.46 g/mol
LogP3.56
Rot. Bonds8

About tert-butyl N-[2-[(6-methyl-3-pyridinyl)methylamino]hexyl]carbamate

tert-butyl N-[2-[(6-methyl-3-pyridinyl)methylamino]hexyl]carbamate (PubChem CID 104756511) has the molecular formula C18H31N3O2 and a molecular weight of 321.46 g/mol. Its IUPAC name is tert-butyl N-[2-[(6-methyl-3-pyridinyl)methylamino]hexyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[(6-methyl-3-pyridinyl)methylamino]hexyl]carbamate
PubChem CID104756511
Molecular FormulaC18H31N3O2
Molecular Weight321.46 g/mol
Exact Mass321.24
IUPAC Nametert-butyl N-[2-[(6-methyl-3-pyridinyl)methylamino]hexyl]carbamate
SMILESCCCCC(CNC(=O)OC(C)(C)C)NCc1ccc(C)nc1
InChIInChI=1S/C18H31N3O2/c1-6-7-8-16(13-21-17(22)23-18(3,4)5)20-12-15-10-9-14(2)19-11-15/h9-11,16,20H,6-8,12-13H2,1-5H3,(H,21,22)
InChIKeyOJARREKKULVRCW-UHFFFAOYSA-N
XLogP3.56
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.46
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[2-[(2-methyl-1H-imidazol-5-yl)methylamino]hexyl]carbamate
CID 103753203
tert-butyl N-[2-[(5-bromo-3-pyridinyl)methylamino]hexyl]carbamate
CID 104857007
tert-butyl N-[2-(pyridin-2-ylmethylamino)hexyl]carbamate
CID 103753218
tert-butyl N-[2-(butylamino)hexyl]carbamate
CID 107256535
tert-butyl 2-[(6-methyl-3-pyridinyl)methylamino]propanoate
CID 64687344
tert-butyl N-[2-[(2-methyl-1,3-thiazol-5-yl)methylamino]pentyl]carbamate
CID 107253580
tert-butyl N-[2-[(4-fluoro-3-methylphenyl)methylamino]pentyl]carbamate
CID 107253853
tert-butyl N-[[4-[(hexan-2-ylamino)methyl]phenyl]methyl]carbamate
CID 107244289
tert-butyl N-[2-[(3-aminothiophen-2-yl)methylamino]hexyl]carbamate
CID 107256585
tert-butyl N-[2-[(3,5-dibromo-2-pyridinyl)methylamino]pentyl]carbamate
CID 107253827
tert-butyl N-[2-[(4-methyl-1,3-thiazol-5-yl)methylamino]pentyl]carbamate
CID 107253463
tert-butyl N-[2-[(1-methylpyrrol-3-yl)methylamino]pentyl]carbamate
CID 107253653

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[(6-methyl-3-pyridinyl)methylamino]hexyl]carbamate?
The IUPAC name of tert-butyl N-[2-[(6-methyl-3-pyridinyl)methylamino]hexyl]carbamate (CID 104756511) is tert-butyl N-[2-[(6-methyl-3-pyridinyl)methylamino]hexyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[(6-methyl-3-pyridinyl)methylamino]hexyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[(6-methyl-3-pyridinyl)methylamino]hexyl]carbamate is CCCCC(CNC(=O)OC(C)(C)C)NCc1ccc(C)nc1.
What is the InChIKey of tert-butyl N-[2-[(6-methyl-3-pyridinyl)methylamino]hexyl]carbamate?
The InChIKey is OJARREKKULVRCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N3O2/c1-6-7-8-16(13-21-17(22)23-18(3,4)5)20-12-15-10-9-14(2)19-11-15/h9-11,16,20H,6-8,12-13H2,1-5H3,(H,21,22).
What are the key properties of tert-butyl N-[2-[(6-methyl-3-pyridinyl)methylamino]hexyl]carbamate?
tert-butyl N-[2-[(6-methyl-3-pyridinyl)methylamino]hexyl]carbamate has a molecular weight of 321.46 g/mol, XLogP of 3.56, 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-[(6-methyl-3-pyridinyl)methylamino]hexyl]carbamate is sourced from PubChem (CID 104756511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).