tert-butyl N-[3-(3,4-dihydro-2H-pyran-2-ylmethylamino)-2-methylpropyl]-N-methylcarbamate

C16H30N2O3 — CID 107094971

IUPACtert-butyl N-[3-(3,4-dihydro-2H-pyran-2-ylmethylamino)-2-methylpropyl]-N-methylcarbamate
SMILESCC(CNCC1CCC=CO1)CN(C)C(=O)OC(C)(C)C
InChIInChI=1S/C16H30N2O3/c1-13(10-17-11-14-8-6-7-9-20-14)12-18(5)15(19)21-16(2,3)4/h7,9,13-14,17H,6,8,10-12H2,1-5H3
InChIKeyJMOVKPYDQZHCQD-UHFFFAOYSA-N
MW298.43 g/mol
LogP2.77
Rot. Bonds6

About tert-butyl N-[3-(3,4-dihydro-2H-pyran-2-ylmethylamino)-2-methylpropyl]-N-methylcarbamate

tert-butyl N-[3-(3,4-dihydro-2H-pyran-2-ylmethylamino)-2-methylpropyl]-N-methylcarbamate (PubChem CID 107094971) has the molecular formula C16H30N2O3 and a molecular weight of 298.43 g/mol. Its IUPAC name is tert-butyl N-[3-(3,4-dihydro-2H-pyran-2-ylmethylamino)-2-methylpropyl]-N-methylcarbamate.

Molecular Properties

Compound Nametert-butyl N-[3-(3,4-dihydro-2H-pyran-2-ylmethylamino)-2-methylpropyl]-N-methylcarbamate
PubChem CID107094971
Molecular FormulaC16H30N2O3
Molecular Weight298.43 g/mol
Exact Mass298.23
IUPAC Nametert-butyl N-[3-(3,4-dihydro-2H-pyran-2-ylmethylamino)-2-methylpropyl]-N-methylcarbamate
SMILESCC(CNCC1CCC=CO1)CN(C)C(=O)OC(C)(C)C
InChIInChI=1S/C16H30N2O3/c1-13(10-17-11-14-8-6-7-9-20-14)12-18(5)15(19)21-16(2,3)4/h7,9,13-14,17H,6,8,10-12H2,1-5H3
InChIKeyJMOVKPYDQZHCQD-UHFFFAOYSA-N
XLogP2.77
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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
tert-butyl 4-[(2-methyl-3H-furan-2-yl)methylamino]piperidine-1-carboxylate
CID 53443720
ethyl 4-(3,4-dihydro-2H-pyran-2-ylmethylamino)piperidine-1-carboxylate
CID 62064539
2-(3,4-dihydro-2H-pyran-2-ylmethylamino)ethyl carbamate
CID 83202562
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 3-(3,4-dihydro-2H-pyran-2-ylmethylamino)azetidine-1-carboxylate
CID 102673371

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-(3,4-dihydro-2H-pyran-2-ylmethylamino)-2-methylpropyl]-N-methylcarbamate?
The IUPAC name of tert-butyl N-[3-(3,4-dihydro-2H-pyran-2-ylmethylamino)-2-methylpropyl]-N-methylcarbamate (CID 107094971) is tert-butyl N-[3-(3,4-dihydro-2H-pyran-2-ylmethylamino)-2-methylpropyl]-N-methylcarbamate.
What is the SMILES notation for tert-butyl N-[3-(3,4-dihydro-2H-pyran-2-ylmethylamino)-2-methylpropyl]-N-methylcarbamate?
The canonical SMILES for tert-butyl N-[3-(3,4-dihydro-2H-pyran-2-ylmethylamino)-2-methylpropyl]-N-methylcarbamate is CC(CNCC1CCC=CO1)CN(C)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[3-(3,4-dihydro-2H-pyran-2-ylmethylamino)-2-methylpropyl]-N-methylcarbamate?
The InChIKey is JMOVKPYDQZHCQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O3/c1-13(10-17-11-14-8-6-7-9-20-14)12-18(5)15(19)21-16(2,3)4/h7,9,13-14,17H,6,8,10-12H2,1-5H3.
What are the key properties of tert-butyl N-[3-(3,4-dihydro-2H-pyran-2-ylmethylamino)-2-methylpropyl]-N-methylcarbamate?
tert-butyl N-[3-(3,4-dihydro-2H-pyran-2-ylmethylamino)-2-methylpropyl]-N-methylcarbamate has a molecular weight of 298.43 g/mol, XLogP of 2.77, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-(3,4-dihydro-2H-pyran-2-ylmethylamino)-2-methylpropyl]-N-methylcarbamate is sourced from PubChem (CID 107094971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).