tert-butyl N-methyl-N-[2-[(2-methyloxan-4-yl)amino]ethyl]carbamate

C14H28N2O3 — CID 103910604

IUPACtert-butyl N-methyl-N-[2-[(2-methyloxan-4-yl)amino]ethyl]carbamate
SMILESCC1CC(NCCN(C)C(=O)OC(C)(C)C)CCO1
InChIInChI=1S/C14H28N2O3/c1-11-10-12(6-9-18-11)15-7-8-16(5)13(17)19-14(2,3)4/h11-12,15H,6-10H2,1-5H3
InChIKeyATYTYYFBGGCKQY-UHFFFAOYSA-N
MW272.39 g/mol
LogP2.01
Rot. Bonds4

About tert-butyl N-methyl-N-[2-[(2-methyloxan-4-yl)amino]ethyl]carbamate

tert-butyl N-methyl-N-[2-[(2-methyloxan-4-yl)amino]ethyl]carbamate (PubChem CID 103910604) has the molecular formula C14H28N2O3 and a molecular weight of 272.39 g/mol. Its IUPAC name is tert-butyl N-methyl-N-[2-[(2-methyloxan-4-yl)amino]ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-methyl-N-[2-[(2-methyloxan-4-yl)amino]ethyl]carbamate
PubChem CID103910604
Molecular FormulaC14H28N2O3
Molecular Weight272.39 g/mol
Exact Mass272.21
IUPAC Nametert-butyl N-methyl-N-[2-[(2-methyloxan-4-yl)amino]ethyl]carbamate
SMILESCC1CC(NCCN(C)C(=O)OC(C)(C)C)CCO1
InChIInChI=1S/C14H28N2O3/c1-11-10-12(6-9-18-11)15-7-8-16(5)13(17)19-14(2,3)4/h11-12,15H,6-10H2,1-5H3
InChIKeyATYTYYFBGGCKQY-UHFFFAOYSA-N
XLogP2.01
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
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-[(2-propyloxan-4-yl)amino]ethyl]carbamate
CID 103991105
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-[3-[(3-methylcyclopentyl)amino]propyl]carbamate
CID 103699060
tert-butyl N-[2-[(2-ethyl-2-methyloxan-4-yl)amino]ethyl]-N-methylcarbamate
CID 107244992
tert-butyl N-[2-[(3-ethoxycyclobutyl)amino]ethyl]-N-methylcarbamate
CID 103921208
tert-butyl N-methyl-N-[2-(pyrrolidin-3-ylamino)ethyl]carbamate
CID 107245215
tert-butyl N-cyclopropyl-N-[2-[(2-ethyloxan-4-yl)amino]ethyl]carbamate
CID 107246501
tert-butyl N-methyl-N-[3-[(4-methylcyclohexyl)amino]propyl]carbamate
CID 103699070
tert-butyl N-(2-methyloxan-4-yl)carbamate
CID 103887643
tert-butyl N-[2-[(2,6-dimethyloxan-4-yl)amino]ethyl]-N-ethylcarbamate
CID 103920837

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-methyl-N-[2-[(2-methyloxan-4-yl)amino]ethyl]carbamate?
The IUPAC name of tert-butyl N-methyl-N-[2-[(2-methyloxan-4-yl)amino]ethyl]carbamate (CID 103910604) is tert-butyl N-methyl-N-[2-[(2-methyloxan-4-yl)amino]ethyl]carbamate.
What is the SMILES notation for tert-butyl N-methyl-N-[2-[(2-methyloxan-4-yl)amino]ethyl]carbamate?
The canonical SMILES for tert-butyl N-methyl-N-[2-[(2-methyloxan-4-yl)amino]ethyl]carbamate is CC1CC(NCCN(C)C(=O)OC(C)(C)C)CCO1.
What is the InChIKey of tert-butyl N-methyl-N-[2-[(2-methyloxan-4-yl)amino]ethyl]carbamate?
The InChIKey is ATYTYYFBGGCKQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O3/c1-11-10-12(6-9-18-11)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-methyl-N-[2-[(2-methyloxan-4-yl)amino]ethyl]carbamate?
tert-butyl N-methyl-N-[2-[(2-methyloxan-4-yl)amino]ethyl]carbamate has a molecular weight of 272.39 g/mol, XLogP of 2.01, 4 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-[(2-methyloxan-4-yl)amino]ethyl]carbamate is sourced from PubChem (CID 103910604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).