tert-butyl N-[1-(3,4-dihydro-2H-pyran-2-ylmethylamino)-2-methylpropan-2-yl]carbamate

C15H28N2O3 — CID 105021938

IUPACtert-butyl N-[1-(3,4-dihydro-2H-pyran-2-ylmethylamino)-2-methylpropan-2-yl]carbamate
SMILESCC(C)(CNCC1CCC=CO1)NC(=O)OC(C)(C)C
InChIInChI=1S/C15H28N2O3/c1-14(2,3)20-13(18)17-15(4,5)11-16-10-12-8-6-7-9-19-12/h7,9,12,16H,6,8,10-11H2,1-5H3,(H,17,18)
InChIKeyYSYJOLYHCMQTET-UHFFFAOYSA-N
MW284.40 g/mol
LogP2.57
Rot. Bonds5

About tert-butyl N-[1-(3,4-dihydro-2H-pyran-2-ylmethylamino)-2-methylpropan-2-yl]carbamate

tert-butyl N-[1-(3,4-dihydro-2H-pyran-2-ylmethylamino)-2-methylpropan-2-yl]carbamate (PubChem CID 105021938) has the molecular formula C15H28N2O3 and a molecular weight of 284.40 g/mol. Its IUPAC name is tert-butyl N-[1-(3,4-dihydro-2H-pyran-2-ylmethylamino)-2-methylpropan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-(3,4-dihydro-2H-pyran-2-ylmethylamino)-2-methylpropan-2-yl]carbamate
PubChem CID105021938
Molecular FormulaC15H28N2O3
Molecular Weight284.40 g/mol
Exact Mass284.21
IUPAC Nametert-butyl N-[1-(3,4-dihydro-2H-pyran-2-ylmethylamino)-2-methylpropan-2-yl]carbamate
SMILESCC(C)(CNCC1CCC=CO1)NC(=O)OC(C)(C)C
InChIInChI=1S/C15H28N2O3/c1-14(2,3)20-13(18)17-15(4,5)11-16-10-12-8-6-7-9-19-12/h7,9,12,16H,6,8,10-11H2,1-5H3,(H,17,18)
InChIKeyYSYJOLYHCMQTET-UHFFFAOYSA-N
XLogP2.57
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[(2R,3S)-2-methyl-3,4-dihydro-2H-pyran-3-yl]carbamate
CID 45103018
tert-butyl N-[3-(3,4-dihydro-2H-pyran-2-ylmethylamino)-2,2-difluoropropyl]carbamate
CID 107095531
Tert-butyl ((3,4-dihydro-2H-pyran-2-yl)methyl)carbamate
CID 15728132
1-N-(3,4-dihydro-2H-pyran-2-ylmethyl)-2-N,2-N,2-trimethylpropane-1,2-diamine
CID 62066896
2-(3,4-dihydro-2H-pyran-2-ylmethylamino)ethyl carbamate
CID 83202562
tert-butyl N-[(2S,3R)-2-methyl-3,4-dihydro-2H-pyran-3-yl]carbamate
CID 102171696
tert-butyl N-[(2S,3S)-2-methyl-3,4-dihydro-2H-pyran-3-yl]carbamate
CID 102171699
tert-butyl N-[4-(3,4-dihydro-2H-pyran-2-ylmethylamino)cyclohexyl]carbamate
CID 102613513
tert-butyl 3-(3,4-dihydro-2H-pyran-2-ylmethylamino)piperidine-1-carboxylate
CID 102613519
tert-butyl N-[2-(3,4-dihydro-2H-pyran-2-ylmethylamino)cyclopentyl]carbamate
CID 102613520
tert-butyl 3-(3,4-dihydro-2H-pyran-2-ylmethylamino)azetidine-1-carboxylate
CID 102673371
tert-butyl N-[2-(3,4-dihydro-2H-pyran-2-ylmethylamino)cycloheptyl]carbamate
CID 103082560

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-(3,4-dihydro-2H-pyran-2-ylmethylamino)-2-methylpropan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[1-(3,4-dihydro-2H-pyran-2-ylmethylamino)-2-methylpropan-2-yl]carbamate (CID 105021938) is tert-butyl N-[1-(3,4-dihydro-2H-pyran-2-ylmethylamino)-2-methylpropan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[1-(3,4-dihydro-2H-pyran-2-ylmethylamino)-2-methylpropan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[1-(3,4-dihydro-2H-pyran-2-ylmethylamino)-2-methylpropan-2-yl]carbamate is CC(C)(CNCC1CCC=CO1)NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[1-(3,4-dihydro-2H-pyran-2-ylmethylamino)-2-methylpropan-2-yl]carbamate?
The InChIKey is YSYJOLYHCMQTET-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O3/c1-14(2,3)20-13(18)17-15(4,5)11-16-10-12-8-6-7-9-19-12/h7,9,12,16H,6,8,10-11H2,1-5H3,(H,17,18).
What are the key properties of tert-butyl N-[1-(3,4-dihydro-2H-pyran-2-ylmethylamino)-2-methylpropan-2-yl]carbamate?
tert-butyl N-[1-(3,4-dihydro-2H-pyran-2-ylmethylamino)-2-methylpropan-2-yl]carbamate has a molecular weight of 284.40 g/mol, XLogP of 2.57, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-(3,4-dihydro-2H-pyran-2-ylmethylamino)-2-methylpropan-2-yl]carbamate is sourced from PubChem (CID 105021938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).