tert-butyl N-[2-[1-(2,4,6-trimethyl-3-pyridinyl)ethylamino]ethyl]carbamate

C17H29N3O2 — CID 103917430

IUPACtert-butyl N-[2-[1-(2,4,6-trimethyl-3-pyridinyl)ethylamino]ethyl]carbamate
SMILESCc1cc(C)c(C(C)NCCNC(=O)OC(C)(C)C)c(C)n1
InChIInChI=1S/C17H29N3O2/c1-11-10-12(2)20-14(4)15(11)13(3)18-8-9-19-16(21)22-17(5,6)7/h10,13,18H,8-9H2,1-7H3,(H,19,21)
InChIKeyVTHSPXGAQWWLBR-UHFFFAOYSA-N
MW307.44 g/mol
LogP3.18
Rot. Bonds5

About tert-butyl N-[2-[1-(2,4,6-trimethyl-3-pyridinyl)ethylamino]ethyl]carbamate

tert-butyl N-[2-[1-(2,4,6-trimethyl-3-pyridinyl)ethylamino]ethyl]carbamate (PubChem CID 103917430) has the molecular formula C17H29N3O2 and a molecular weight of 307.44 g/mol. Its IUPAC name is tert-butyl N-[2-[1-(2,4,6-trimethyl-3-pyridinyl)ethylamino]ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[1-(2,4,6-trimethyl-3-pyridinyl)ethylamino]ethyl]carbamate
PubChem CID103917430
Molecular FormulaC17H29N3O2
Molecular Weight307.44 g/mol
Exact Mass307.23
IUPAC Nametert-butyl N-[2-[1-(2,4,6-trimethyl-3-pyridinyl)ethylamino]ethyl]carbamate
SMILESCc1cc(C)c(C(C)NCCNC(=O)OC(C)(C)C)c(C)n1
InChIInChI=1S/C17H29N3O2/c1-11-10-12(2)20-14(4)15(11)13(3)18-8-9-19-16(21)22-17(5,6)7/h10,13,18H,8-9H2,1-7H3,(H,19,21)
InChIKeyVTHSPXGAQWWLBR-UHFFFAOYSA-N
XLogP3.18
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.44
LogP ≤ 53.18
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-cyclopropyl-N-[2-[1-(2,4,6-trimethyl-3-pyridinyl)ethylamino]ethyl]carbamate
CID 113351531
tert-butyl N-[2-[1-(2,4,6-trimethyl-3-pyridinyl)ethylamino]cyclopropyl]carbamate
CID 107238280
tert-butyl N-[2-[1-(2,4,5-trimethylphenyl)ethylamino]ethyl]carbamate
CID 107241326
tert-butyl N-[2-[1-(2,6-dihydroxyphenyl)ethylamino]ethyl]carbamate
CID 107711346
4,4-dimethyl-1-[1-(2,4,6-trimethyl-3-pyridinyl)ethylamino]pentan-2-ol
CID 107151568
tert-butyl N-[2-(propan-2-ylamino)ethyl]carbamate
CID 16743802
tert-butyl N-[2-[(2,6-dimethyl-3-pyridinyl)amino]ethyl]carbamate
CID 115748753
N-[2-(2,2,2-trifluoroethoxy)ethyl]-1-(2,4,6-trimethyl-3-pyridinyl)ethanamine
CID 63827120
tert-butyl N-[4-(6-amino-2,4-dimethyl-3-pyridinyl)-3,4-dihydroxybutyl]carbamate
CID 171884816
tert-butyl N-[3-[(4,6-dimethylpyrimidin-2-yl)amino]propyl]carbamate
CID 115611755
3-propoxy-N-[1-(2,4,6-trimethyl-3-pyridinyl)ethyl]propan-1-amine
CID 82940884
3-cyclopentyl-N-[1-(2,4,6-trimethyl-3-pyridinyl)ethyl]propan-1-amine
CID 106009012

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[1-(2,4,6-trimethyl-3-pyridinyl)ethylamino]ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-[1-(2,4,6-trimethyl-3-pyridinyl)ethylamino]ethyl]carbamate (CID 103917430) is tert-butyl N-[2-[1-(2,4,6-trimethyl-3-pyridinyl)ethylamino]ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[1-(2,4,6-trimethyl-3-pyridinyl)ethylamino]ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[1-(2,4,6-trimethyl-3-pyridinyl)ethylamino]ethyl]carbamate is Cc1cc(C)c(C(C)NCCNC(=O)OC(C)(C)C)c(C)n1.
What is the InChIKey of tert-butyl N-[2-[1-(2,4,6-trimethyl-3-pyridinyl)ethylamino]ethyl]carbamate?
The InChIKey is VTHSPXGAQWWLBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O2/c1-11-10-12(2)20-14(4)15(11)13(3)18-8-9-19-16(21)22-17(5,6)7/h10,13,18H,8-9H2,1-7H3,(H,19,21).
What are the key properties of tert-butyl N-[2-[1-(2,4,6-trimethyl-3-pyridinyl)ethylamino]ethyl]carbamate?
tert-butyl N-[2-[1-(2,4,6-trimethyl-3-pyridinyl)ethylamino]ethyl]carbamate has a molecular weight of 307.44 g/mol, XLogP of 3.18, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[1-(2,4,6-trimethyl-3-pyridinyl)ethylamino]ethyl]carbamate is sourced from PubChem (CID 103917430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).