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

C20H33N3O2 — CID 113351531

IUPACtert-butyl N-cyclopropyl-N-[2-[1-(2,4,6-trimethyl-3-pyridinyl)ethylamino]ethyl]carbamate
SMILESCc1cc(C)c(C(C)NCCN(C(=O)OC(C)(C)C)C2CC2)c(C)n1
InChIInChI=1S/C20H33N3O2/c1-13-12-14(2)22-16(4)18(13)15(3)21-10-11-23(17-8-9-17)19(24)25-20(5,6)7/h12,15,17,21H,8-11H2,1-7H3
InChIKeyXQQAFGBGUREBRX-UHFFFAOYSA-N
MW347.50 g/mol
LogP4.06
Rot. Bonds6

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

tert-butyl N-cyclopropyl-N-[2-[1-(2,4,6-trimethyl-3-pyridinyl)ethylamino]ethyl]carbamate (PubChem CID 113351531) has the molecular formula C20H33N3O2 and a molecular weight of 347.50 g/mol. Its IUPAC name is tert-butyl N-cyclopropyl-N-[2-[1-(2,4,6-trimethyl-3-pyridinyl)ethylamino]ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-cyclopropyl-N-[2-[1-(2,4,6-trimethyl-3-pyridinyl)ethylamino]ethyl]carbamate
PubChem CID113351531
Molecular FormulaC20H33N3O2
Molecular Weight347.50 g/mol
Exact Mass347.26
IUPAC Nametert-butyl N-cyclopropyl-N-[2-[1-(2,4,6-trimethyl-3-pyridinyl)ethylamino]ethyl]carbamate
SMILESCc1cc(C)c(C(C)NCCN(C(=O)OC(C)(C)C)C2CC2)c(C)n1
InChIInChI=1S/C20H33N3O2/c1-13-12-14(2)22-16(4)18(13)15(3)21-10-11-23(17-8-9-17)19(24)25-20(5,6)7/h12,15,17,21H,8-11H2,1-7H3
InChIKeyXQQAFGBGUREBRX-UHFFFAOYSA-N
XLogP4.06
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.50
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

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Related Compounds

tert-butyl N-[2-[1-(2,4,6-trimethyl-3-pyridinyl)ethylamino]ethyl]carbamate
CID 103917430
methyl 2-[2-[cyclopropyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethylamino]propanoate
CID 103711065
tert-butyl N-cyclopropyl-N-[2-[1-(5-fluoro-2-pyridinyl)ethylamino]ethyl]carbamate
CID 103894803
tert-butyl N-[2-[1-(3-bromothiophen-2-yl)ethylamino]ethyl]-N-cyclopropylcarbamate
CID 107246317
tert-butyl N-[2-(1-cyclopentylethylamino)ethyl]-N-cyclopropylcarbamate
CID 107246341
tert-butyl N-cyclopropyl-N-[2-(1-cyclopropylpropan-2-ylamino)ethyl]carbamate
CID 103780880
tert-butyl N-[2-[1-(2,4,6-trimethyl-3-pyridinyl)ethylamino]cyclopropyl]carbamate
CID 107238280
tert-butyl N-cyclopropyl-N-[2-(2-methylpropylamino)ethyl]carbamate
CID 103880529
3-cyclopentyl-N-[1-(2,4,6-trimethyl-3-pyridinyl)ethyl]propan-1-amine
CID 106009012
tert-butyl N-cyclopropyl-N-[2-[1-(1-methylpiperidin-4-yl)ethylamino]ethyl]carbamate
CID 103780903
tert-butyl N-cyclopropyl-N-[2-[1-(furan-2-yl)propan-2-ylamino]ethyl]carbamate
CID 107246314
tert-butyl N-cycloheptyl-N-[2-(pentan-3-ylamino)ethyl]carbamate
CID 107251904

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-cyclopropyl-N-[2-[1-(2,4,6-trimethyl-3-pyridinyl)ethylamino]ethyl]carbamate?
The IUPAC name of tert-butyl N-cyclopropyl-N-[2-[1-(2,4,6-trimethyl-3-pyridinyl)ethylamino]ethyl]carbamate (CID 113351531) is tert-butyl N-cyclopropyl-N-[2-[1-(2,4,6-trimethyl-3-pyridinyl)ethylamino]ethyl]carbamate.
What is the SMILES notation for tert-butyl N-cyclopropyl-N-[2-[1-(2,4,6-trimethyl-3-pyridinyl)ethylamino]ethyl]carbamate?
The canonical SMILES for tert-butyl N-cyclopropyl-N-[2-[1-(2,4,6-trimethyl-3-pyridinyl)ethylamino]ethyl]carbamate is Cc1cc(C)c(C(C)NCCN(C(=O)OC(C)(C)C)C2CC2)c(C)n1.
What is the InChIKey of tert-butyl N-cyclopropyl-N-[2-[1-(2,4,6-trimethyl-3-pyridinyl)ethylamino]ethyl]carbamate?
The InChIKey is XQQAFGBGUREBRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N3O2/c1-13-12-14(2)22-16(4)18(13)15(3)21-10-11-23(17-8-9-17)19(24)25-20(5,6)7/h12,15,17,21H,8-11H2,1-7H3.
What are the key properties of tert-butyl N-cyclopropyl-N-[2-[1-(2,4,6-trimethyl-3-pyridinyl)ethylamino]ethyl]carbamate?
tert-butyl N-cyclopropyl-N-[2-[1-(2,4,6-trimethyl-3-pyridinyl)ethylamino]ethyl]carbamate has a molecular weight of 347.50 g/mol, XLogP of 4.06, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-cyclopropyl-N-[2-[1-(2,4,6-trimethyl-3-pyridinyl)ethylamino]ethyl]carbamate is sourced from PubChem (CID 113351531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).