tert-butyl N-methyl-N-[2-(1-pyridin-4-ylethylamino)ethyl]carbamate

C15H25N3O2 — CID 103882830

IUPACtert-butyl N-methyl-N-[2-(1-pyridin-4-ylethylamino)ethyl]carbamate
SMILESCC(NCCN(C)C(=O)OC(C)(C)C)c1ccncc1
InChIInChI=1S/C15H25N3O2/c1-12(13-6-8-16-9-7-13)17-10-11-18(5)14(19)20-15(2,3)4/h6-9,12,17H,10-11H2,1-5H3
InChIKeyCTSRDEYMFYNTNP-UHFFFAOYSA-N
MW279.38 g/mol
LogP2.60
Rot. Bonds5

About tert-butyl N-methyl-N-[2-(1-pyridin-4-ylethylamino)ethyl]carbamate

tert-butyl N-methyl-N-[2-(1-pyridin-4-ylethylamino)ethyl]carbamate (PubChem CID 103882830) has the molecular formula C15H25N3O2 and a molecular weight of 279.38 g/mol. Its IUPAC name is tert-butyl N-methyl-N-[2-(1-pyridin-4-ylethylamino)ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-methyl-N-[2-(1-pyridin-4-ylethylamino)ethyl]carbamate
PubChem CID103882830
Molecular FormulaC15H25N3O2
Molecular Weight279.38 g/mol
Exact Mass279.19
IUPAC Nametert-butyl N-methyl-N-[2-(1-pyridin-4-ylethylamino)ethyl]carbamate
SMILESCC(NCCN(C)C(=O)OC(C)(C)C)c1ccncc1
InChIInChI=1S/C15H25N3O2/c1-12(13-6-8-16-9-7-13)17-10-11-18(5)14(19)20-15(2,3)4/h6-9,12,17H,10-11H2,1-5H3
InChIKeyCTSRDEYMFYNTNP-UHFFFAOYSA-N
XLogP2.60
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[2-[1-(4-cyanophenyl)ethylamino]ethyl]-N-methylcarbamate
CID 103921202
tert-butyl N-[2-[1-(furan-3-yl)ethylamino]ethyl]-N-methylcarbamate
CID 103780651
tert-butyl N-[2-[1-(2,3-dihydro-1H-inden-5-yl)ethylamino]ethyl]-N-methylcarbamate
CID 107245057
tert-butyl N-methyl-N-[3-(1-pyridin-3-ylethylamino)propyl]carbamate
CID 103894812
tert-butyl N-[3-[[(1R)-1-(4-methoxyphenyl)ethyl]amino]propyl]-N-methylcarbamate
CID 73056972
tert-butyl N-methyl-N-[2-[1-(1-methylimidazol-2-yl)ethylamino]ethyl]carbamate
CID 103913871
tert-butyl N-[2-(1-phenylethylamino)ethyl]-N-propan-2-ylcarbamate
CID 107245596
tert-butyl N-methyl-N-(1-pyridin-4-ylethyl)carbamate
CID 63789575
tert-butyl N-(2-hydroxypropyl)-N-[2-(1-phenylethylamino)ethyl]carbamate
CID 107257059
tert-butyl N-methyl-N-[2-(1-pyridin-3-ylethylcarbamoylamino)ethyl]carbamate
CID 56827108
tert-butyl N-[2-(butan-2-ylamino)ethyl]-N-methylcarbamate
CID 115716335
tert-butyl N-ethyl-N-[2-(1-phenylethylamino)ethyl]carbamate
CID 103716862

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-methyl-N-[2-(1-pyridin-4-ylethylamino)ethyl]carbamate?
The IUPAC name of tert-butyl N-methyl-N-[2-(1-pyridin-4-ylethylamino)ethyl]carbamate (CID 103882830) is tert-butyl N-methyl-N-[2-(1-pyridin-4-ylethylamino)ethyl]carbamate.
What is the SMILES notation for tert-butyl N-methyl-N-[2-(1-pyridin-4-ylethylamino)ethyl]carbamate?
The canonical SMILES for tert-butyl N-methyl-N-[2-(1-pyridin-4-ylethylamino)ethyl]carbamate is CC(NCCN(C)C(=O)OC(C)(C)C)c1ccncc1.
What is the InChIKey of tert-butyl N-methyl-N-[2-(1-pyridin-4-ylethylamino)ethyl]carbamate?
The InChIKey is CTSRDEYMFYNTNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2/c1-12(13-6-8-16-9-7-13)17-10-11-18(5)14(19)20-15(2,3)4/h6-9,12,17H,10-11H2,1-5H3.
What are the key properties of tert-butyl N-methyl-N-[2-(1-pyridin-4-ylethylamino)ethyl]carbamate?
tert-butyl N-methyl-N-[2-(1-pyridin-4-ylethylamino)ethyl]carbamate has a molecular weight of 279.38 g/mol, XLogP of 2.60, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-methyl-N-[2-(1-pyridin-4-ylethylamino)ethyl]carbamate is sourced from PubChem (CID 103882830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).