tert-butyl N-methyl-N-[3-(oxan-4-ylamino)but-3-enyl]carbamate

C15H28N2O3 — CID 154690472

IUPACtert-butyl N-methyl-N-[3-(oxan-4-ylamino)but-3-enyl]carbamate
SMILESC=C(CCN(C)C(=O)OC(C)(C)C)NC1CCOCC1
InChIInChI=1S/C15H28N2O3/c1-12(16-13-7-10-19-11-8-13)6-9-17(5)14(18)20-15(2,3)4/h13,16H,1,6-11H2,2-5H3
InChIKeyAZIBYNCJQCTDSI-UHFFFAOYSA-N
MW284.40 g/mol
LogP2.53
Rot. Bonds5

About tert-butyl N-methyl-N-[3-(oxan-4-ylamino)but-3-enyl]carbamate

tert-butyl N-methyl-N-[3-(oxan-4-ylamino)but-3-enyl]carbamate (PubChem CID 154690472) has the molecular formula C15H28N2O3 and a molecular weight of 284.40 g/mol. Its IUPAC name is tert-butyl N-methyl-N-[3-(oxan-4-ylamino)but-3-enyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-methyl-N-[3-(oxan-4-ylamino)but-3-enyl]carbamate
PubChem CID154690472
Molecular FormulaC15H28N2O3
Molecular Weight284.40 g/mol
Exact Mass284.21
IUPAC Nametert-butyl N-methyl-N-[3-(oxan-4-ylamino)but-3-enyl]carbamate
SMILESC=C(CCN(C)C(=O)OC(C)(C)C)NC1CCOCC1
InChIInChI=1S/C15H28N2O3/c1-12(16-13-7-10-19-11-8-13)6-9-17(5)14(18)20-15(2,3)4/h13,16H,1,6-11H2,2-5H3
InChIKeyAZIBYNCJQCTDSI-UHFFFAOYSA-N
XLogP2.53
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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tert-butyl N-methyl-N-[4-[methyl(morpholine-4-carbonyl)amino]butyl]carbamate
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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-methyl-N-[3-(oxan-4-ylamino)but-3-enyl]carbamate?
The IUPAC name of tert-butyl N-methyl-N-[3-(oxan-4-ylamino)but-3-enyl]carbamate (CID 154690472) is tert-butyl N-methyl-N-[3-(oxan-4-ylamino)but-3-enyl]carbamate.
What is the SMILES notation for tert-butyl N-methyl-N-[3-(oxan-4-ylamino)but-3-enyl]carbamate?
The canonical SMILES for tert-butyl N-methyl-N-[3-(oxan-4-ylamino)but-3-enyl]carbamate is C=C(CCN(C)C(=O)OC(C)(C)C)NC1CCOCC1.
What is the InChIKey of tert-butyl N-methyl-N-[3-(oxan-4-ylamino)but-3-enyl]carbamate?
The InChIKey is AZIBYNCJQCTDSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O3/c1-12(16-13-7-10-19-11-8-13)6-9-17(5)14(18)20-15(2,3)4/h13,16H,1,6-11H2,2-5H3.
What are the key properties of tert-butyl N-methyl-N-[3-(oxan-4-ylamino)but-3-enyl]carbamate?
tert-butyl N-methyl-N-[3-(oxan-4-ylamino)but-3-enyl]carbamate has a molecular weight of 284.40 g/mol, XLogP of 2.53, 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-[3-(oxan-4-ylamino)but-3-enyl]carbamate is sourced from PubChem (CID 154690472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).