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

C16H30N2O3 — CID 107094927

IUPACtert-butyl N-[1-(3,4-dihydro-2H-pyran-2-ylmethylamino)-3-methylbutan-2-yl]carbamate
SMILESCC(C)C(CNCC1CCC=CO1)NC(=O)OC(C)(C)C
InChIInChI=1S/C16H30N2O3/c1-12(2)14(18-15(19)21-16(3,4)5)11-17-10-13-8-6-7-9-20-13/h7,9,12-14,17H,6,8,10-11H2,1-5H3,(H,18,19)
InChIKeyIQOMGLAJEARBBC-UHFFFAOYSA-N
MW298.43 g/mol
LogP2.82
Rot. Bonds6

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

tert-butyl N-[1-(3,4-dihydro-2H-pyran-2-ylmethylamino)-3-methylbutan-2-yl]carbamate (PubChem CID 107094927) has the molecular formula C16H30N2O3 and a molecular weight of 298.43 g/mol. Its IUPAC name is tert-butyl N-[1-(3,4-dihydro-2H-pyran-2-ylmethylamino)-3-methylbutan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-(3,4-dihydro-2H-pyran-2-ylmethylamino)-3-methylbutan-2-yl]carbamate
PubChem CID107094927
Molecular FormulaC16H30N2O3
Molecular Weight298.43 g/mol
Exact Mass298.23
IUPAC Nametert-butyl N-[1-(3,4-dihydro-2H-pyran-2-ylmethylamino)-3-methylbutan-2-yl]carbamate
SMILESCC(C)C(CNCC1CCC=CO1)NC(=O)OC(C)(C)C
InChIInChI=1S/C16H30N2O3/c1-12(2)14(18-15(19)21-16(3,4)5)11-17-10-13-8-6-7-9-20-13/h7,9,12-14,17H,6,8,10-11H2,1-5H3,(H,18,19)
InChIKeyIQOMGLAJEARBBC-UHFFFAOYSA-N
XLogP2.82
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 52.82
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 ((3,4-dihydro-2H-pyran-2-yl)methyl)carbamate
CID 15728132
tert-butyl N-[3-[(3,4-dihydro-2H-pyran-6-ylmethylamino)methyl]cyclobutyl]carbamate
CID 126745580
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 4-(3,4-dihydro-2H-pyran-2-ylmethylamino)azepane-1-carboxylate
CID 102613514
tert-butyl N-[[2-(3,4-dihydro-2H-pyran-2-ylmethylamino)cyclopentyl]methyl]carbamate
CID 102613515
tert-butyl 3-[1-(3,4-dihydro-2H-pyran-2-ylmethylamino)ethyl]piperidine-1-carboxylate
CID 102613518
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 N-[[2-(3,4-dihydro-2H-pyran-2-ylmethylamino)cyclohexyl]methyl]carbamate
CID 102613522

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-(3,4-dihydro-2H-pyran-2-ylmethylamino)-3-methylbutan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[1-(3,4-dihydro-2H-pyran-2-ylmethylamino)-3-methylbutan-2-yl]carbamate (CID 107094927) is tert-butyl N-[1-(3,4-dihydro-2H-pyran-2-ylmethylamino)-3-methylbutan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[1-(3,4-dihydro-2H-pyran-2-ylmethylamino)-3-methylbutan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[1-(3,4-dihydro-2H-pyran-2-ylmethylamino)-3-methylbutan-2-yl]carbamate is CC(C)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)-3-methylbutan-2-yl]carbamate?
The InChIKey is IQOMGLAJEARBBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O3/c1-12(2)14(18-15(19)21-16(3,4)5)11-17-10-13-8-6-7-9-20-13/h7,9,12-14,17H,6,8,10-11H2,1-5H3,(H,18,19).
What are the key properties of tert-butyl N-[1-(3,4-dihydro-2H-pyran-2-ylmethylamino)-3-methylbutan-2-yl]carbamate?
tert-butyl N-[1-(3,4-dihydro-2H-pyran-2-ylmethylamino)-3-methylbutan-2-yl]carbamate has a molecular weight of 298.43 g/mol, XLogP of 2.82, 6 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)-3-methylbutan-2-yl]carbamate is sourced from PubChem (CID 107094927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).