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

C18H29N3O2 — CID 107238280

IUPACtert-butyl N-[2-[1-(2,4,6-trimethyl-3-pyridinyl)ethylamino]cyclopropyl]carbamate
SMILESCc1cc(C)c(C(C)NC2CC2NC(=O)OC(C)(C)C)c(C)n1
InChIInChI=1S/C18H29N3O2/c1-10-8-11(2)19-12(3)16(10)13(4)20-14-9-15(14)21-17(22)23-18(5,6)7/h8,13-15,20H,9H2,1-7H3,(H,21,22)
InChIKeyWGQPFUWFIGKXDQ-UHFFFAOYSA-N
MW319.45 g/mol
LogP3.32
Rot. Bonds4

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

tert-butyl N-[2-[1-(2,4,6-trimethyl-3-pyridinyl)ethylamino]cyclopropyl]carbamate (PubChem CID 107238280) has the molecular formula C18H29N3O2 and a molecular weight of 319.45 g/mol. Its IUPAC name is tert-butyl N-[2-[1-(2,4,6-trimethyl-3-pyridinyl)ethylamino]cyclopropyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[1-(2,4,6-trimethyl-3-pyridinyl)ethylamino]cyclopropyl]carbamate
PubChem CID107238280
Molecular FormulaC18H29N3O2
Molecular Weight319.45 g/mol
Exact Mass319.23
IUPAC Nametert-butyl N-[2-[1-(2,4,6-trimethyl-3-pyridinyl)ethylamino]cyclopropyl]carbamate
SMILESCc1cc(C)c(C(C)NC2CC2NC(=O)OC(C)(C)C)c(C)n1
InChIInChI=1S/C18H29N3O2/c1-10-8-11(2)19-12(3)16(10)13(4)20-14-9-15(14)21-17(22)23-18(5,6)7/h8,13-15,20H,9H2,1-7H3,(H,21,22)
InChIKeyWGQPFUWFIGKXDQ-UHFFFAOYSA-N
XLogP3.32
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.45
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[2-[1-(2,4,6-trimethyl-3-pyridinyl)ethylamino]ethyl]carbamate
CID 103917430
tert-butyl N-[2-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethylamino]cyclopropyl]carbamate
CID 107237895
tert-butyl N-[2-[1-(2-chlorophenyl)ethylamino]cyclopropyl]carbamate
CID 107238238
tert-butyl N-[2-[1-(1H-pyrazol-5-yl)ethylamino]cyclopropyl]carbamate
CID 107237572
tert-butyl N-[2-[1-(2,4-dihydroxyphenyl)ethylamino]cyclopropyl]carbamate
CID 107237842
tert-butyl N-[2-(1-pyrazin-2-ylethylamino)cyclopropyl]carbamate
CID 107237510
tert-butyl N-[2-[1-(1-benzothiophen-2-yl)ethylamino]cyclopropyl]carbamate
CID 107238045
tert-butyl N-cyclopropyl-N-[2-[1-(2,4,6-trimethyl-3-pyridinyl)ethylamino]ethyl]carbamate
CID 113351531
tert-butyl N-[2-[1-(4-hydroxy-3-methoxyphenyl)ethylamino]cyclopropyl]carbamate
CID 107238193
tert-butyl N-[2-[1-(2,3-dihydro-1-benzofuran-5-yl)ethylamino]cyclopropyl]carbamate
CID 107237507
tert-butyl N-[2-(4-methylpentan-2-ylamino)cyclopropyl]carbamate
CID 107238063
tert-butyl N-[2-(1-methoxypropan-2-ylamino)cyclopropyl]carbamate
CID 107237881

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[1-(2,4,6-trimethyl-3-pyridinyl)ethylamino]cyclopropyl]carbamate?
The IUPAC name of tert-butyl N-[2-[1-(2,4,6-trimethyl-3-pyridinyl)ethylamino]cyclopropyl]carbamate (CID 107238280) is tert-butyl N-[2-[1-(2,4,6-trimethyl-3-pyridinyl)ethylamino]cyclopropyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[1-(2,4,6-trimethyl-3-pyridinyl)ethylamino]cyclopropyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[1-(2,4,6-trimethyl-3-pyridinyl)ethylamino]cyclopropyl]carbamate is Cc1cc(C)c(C(C)NC2CC2NC(=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]cyclopropyl]carbamate?
The InChIKey is WGQPFUWFIGKXDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O2/c1-10-8-11(2)19-12(3)16(10)13(4)20-14-9-15(14)21-17(22)23-18(5,6)7/h8,13-15,20H,9H2,1-7H3,(H,21,22).
What are the key properties of tert-butyl N-[2-[1-(2,4,6-trimethyl-3-pyridinyl)ethylamino]cyclopropyl]carbamate?
tert-butyl N-[2-[1-(2,4,6-trimethyl-3-pyridinyl)ethylamino]cyclopropyl]carbamate has a molecular weight of 319.45 g/mol, XLogP of 3.32, 4 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]cyclopropyl]carbamate is sourced from PubChem (CID 107238280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).