tert-butyl N-[2-[(3-ethoxycyclobutyl)amino]ethyl]-N-methylcarbamate

C14H28N2O3 — CID 103921208

IUPACtert-butyl N-[2-[(3-ethoxycyclobutyl)amino]ethyl]-N-methylcarbamate
SMILESCCOC1CC(NCCN(C)C(=O)OC(C)(C)C)C1
InChIInChI=1S/C14H28N2O3/c1-6-18-12-9-11(10-12)15-7-8-16(5)13(17)19-14(2,3)4/h11-12,15H,6-10H2,1-5H3
InChIKeyQIMMZFPCGQVZER-UHFFFAOYSA-N
MW272.39 g/mol
LogP2.01
Rot. Bonds6

About tert-butyl N-[2-[(3-ethoxycyclobutyl)amino]ethyl]-N-methylcarbamate

tert-butyl N-[2-[(3-ethoxycyclobutyl)amino]ethyl]-N-methylcarbamate (PubChem CID 103921208) has the molecular formula C14H28N2O3 and a molecular weight of 272.39 g/mol. Its IUPAC name is tert-butyl N-[2-[(3-ethoxycyclobutyl)amino]ethyl]-N-methylcarbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[(3-ethoxycyclobutyl)amino]ethyl]-N-methylcarbamate
PubChem CID103921208
Molecular FormulaC14H28N2O3
Molecular Weight272.39 g/mol
Exact Mass272.21
IUPAC Nametert-butyl N-[2-[(3-ethoxycyclobutyl)amino]ethyl]-N-methylcarbamate
SMILESCCOC1CC(NCCN(C)C(=O)OC(C)(C)C)C1
InChIInChI=1S/C14H28N2O3/c1-6-18-12-9-11(10-12)15-7-8-16(5)13(17)19-14(2,3)4/h11-12,15H,6-10H2,1-5H3
InChIKeyQIMMZFPCGQVZER-UHFFFAOYSA-N
XLogP2.01
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-methyl-N-[2-[(3-methylcyclopentyl)amino]ethyl]carbamate
CID 103698942
tert-butyl N-methyl-N-[2-[(4-methylcyclohexyl)amino]ethyl]carbamate
CID 103698952
tert-butyl N-[2-[(4,4-dimethylcyclohexyl)amino]ethyl]-N-methylcarbamate
CID 103698950
tert-butyl N-methyl-N-[2-(pyrrolidin-3-ylamino)ethyl]carbamate
CID 107245215
tert-butyl N-methyl-N-[2-[(2-methyloxan-4-yl)amino]ethyl]carbamate
CID 103910604
tert-butyl N-methyl-N-[2-[(2-propyloxan-4-yl)amino]ethyl]carbamate
CID 103991105
tert-butyl N-[3-[(3-methoxycyclohexyl)amino]propyl]-N-methylcarbamate
CID 107242031
tert-butyl N-[2-[(3-methoxycyclobutyl)amino]ethyl]-N-propan-2-ylcarbamate
CID 107246003
tert-butyl N-cyclopropyl-N-[2-[(3-methoxycyclobutyl)amino]ethyl]carbamate
CID 104871326
tert-butyl N-[3-(azetidin-3-ylamino)propyl]-N-methylcarbamate
CID 107242227
tert-butyl N-methyl-N-[3-[(3-methylcyclopentyl)amino]propyl]carbamate
CID 103699060
tert-butyl N-[2-[(2-ethyl-2-methyloxan-4-yl)amino]ethyl]-N-methylcarbamate
CID 107244992

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[(3-ethoxycyclobutyl)amino]ethyl]-N-methylcarbamate?
The IUPAC name of tert-butyl N-[2-[(3-ethoxycyclobutyl)amino]ethyl]-N-methylcarbamate (CID 103921208) is tert-butyl N-[2-[(3-ethoxycyclobutyl)amino]ethyl]-N-methylcarbamate.
What is the SMILES notation for tert-butyl N-[2-[(3-ethoxycyclobutyl)amino]ethyl]-N-methylcarbamate?
The canonical SMILES for tert-butyl N-[2-[(3-ethoxycyclobutyl)amino]ethyl]-N-methylcarbamate is CCOC1CC(NCCN(C)C(=O)OC(C)(C)C)C1.
What is the InChIKey of tert-butyl N-[2-[(3-ethoxycyclobutyl)amino]ethyl]-N-methylcarbamate?
The InChIKey is QIMMZFPCGQVZER-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O3/c1-6-18-12-9-11(10-12)15-7-8-16(5)13(17)19-14(2,3)4/h11-12,15H,6-10H2,1-5H3.
What are the key properties of tert-butyl N-[2-[(3-ethoxycyclobutyl)amino]ethyl]-N-methylcarbamate?
tert-butyl N-[2-[(3-ethoxycyclobutyl)amino]ethyl]-N-methylcarbamate has a molecular weight of 272.39 g/mol, XLogP of 2.01, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[(3-ethoxycyclobutyl)amino]ethyl]-N-methylcarbamate is sourced from PubChem (CID 103921208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).