tert-butyl N-[4-[2-(5-methyl-2-pyridinyl)ethylamino]butyl]carbamate

C17H29N3O2 — CID 68888242

IUPACtert-butyl N-[4-[2-(5-methyl-2-pyridinyl)ethylamino]butyl]carbamate
SMILESCc1ccc(CCNCCCCNC(=O)OC(C)(C)C)nc1
InChIInChI=1S/C17H29N3O2/c1-14-7-8-15(20-13-14)9-12-18-10-5-6-11-19-16(21)22-17(2,3)4/h7-8,13,18H,5-6,9-12H2,1-4H3,(H,19,21)
InChIKeyAXVXPUAKKQJRQT-UHFFFAOYSA-N
MW307.44 g/mol
LogP2.83
Rot. Bonds8

About tert-butyl N-[4-[2-(5-methyl-2-pyridinyl)ethylamino]butyl]carbamate

tert-butyl N-[4-[2-(5-methyl-2-pyridinyl)ethylamino]butyl]carbamate (PubChem CID 68888242) has the molecular formula C17H29N3O2 and a molecular weight of 307.44 g/mol. Its IUPAC name is tert-butyl N-[4-[2-(5-methyl-2-pyridinyl)ethylamino]butyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-[2-(5-methyl-2-pyridinyl)ethylamino]butyl]carbamate
PubChem CID68888242
Molecular FormulaC17H29N3O2
Molecular Weight307.44 g/mol
Exact Mass307.23
IUPAC Nametert-butyl N-[4-[2-(5-methyl-2-pyridinyl)ethylamino]butyl]carbamate
SMILESCc1ccc(CCNCCCCNC(=O)OC(C)(C)C)nc1
InChIInChI=1S/C17H29N3O2/c1-14-7-8-15(20-13-14)9-12-18-10-5-6-11-19-16(21)22-17(2,3)4/h7-8,13,18H,5-6,9-12H2,1-4H3,(H,19,21)
InChIKeyAXVXPUAKKQJRQT-UHFFFAOYSA-N
XLogP2.83
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 ≤ 52.83
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-[6-[(2-methylpropan-2-yl)oxycarbonylamino]hexylamino]hexyl]carbamate
CID 15570048
tert-butyl N-[2-[(5-methyl-2-pyridinyl)oxy]ethyl]carbamate
CID 145199582
tert-butyl N-[3-(4-methylphenyl)propyl]carbamate
CID 142219168
tert-butyl N-[3-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propylamino]propyl]carbamate
CID 10404463
tert-butyl N-[4-(pyridin-2-ylmethylamino)butyl]carbamate
CID 142416682
tert-butyl N-[3-[2-(1,2,4-oxadiazol-3-yl)ethylamino]propyl]carbamate
CID 106396801
CID 58849446
CID 58849446
tert-butyl N-[6-(pyridin-2-ylmethylamino)hexyl]carbamate
CID 58185123
tert-butyl N-[4-(propylamino)butyl]carbamate
CID 86071285
tert-butyl N-[2-cyclopropyl-2-[(5-methyl-2-pyridinyl)methylamino]propyl]carbamate
CID 103768694
methyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(5-methyl-2-pyridinyl)propanoate
CID 118017216
tert-butyl N-[2-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]ethyl]carbamate
CID 123299559

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-[2-(5-methyl-2-pyridinyl)ethylamino]butyl]carbamate?
The IUPAC name of tert-butyl N-[4-[2-(5-methyl-2-pyridinyl)ethylamino]butyl]carbamate (CID 68888242) is tert-butyl N-[4-[2-(5-methyl-2-pyridinyl)ethylamino]butyl]carbamate.
What is the SMILES notation for tert-butyl N-[4-[2-(5-methyl-2-pyridinyl)ethylamino]butyl]carbamate?
The canonical SMILES for tert-butyl N-[4-[2-(5-methyl-2-pyridinyl)ethylamino]butyl]carbamate is Cc1ccc(CCNCCCCNC(=O)OC(C)(C)C)nc1.
What is the InChIKey of tert-butyl N-[4-[2-(5-methyl-2-pyridinyl)ethylamino]butyl]carbamate?
The InChIKey is AXVXPUAKKQJRQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O2/c1-14-7-8-15(20-13-14)9-12-18-10-5-6-11-19-16(21)22-17(2,3)4/h7-8,13,18H,5-6,9-12H2,1-4H3,(H,19,21).
What are the key properties of tert-butyl N-[4-[2-(5-methyl-2-pyridinyl)ethylamino]butyl]carbamate?
tert-butyl N-[4-[2-(5-methyl-2-pyridinyl)ethylamino]butyl]carbamate has a molecular weight of 307.44 g/mol, XLogP of 2.83, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-[2-(5-methyl-2-pyridinyl)ethylamino]butyl]carbamate is sourced from PubChem (CID 68888242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).