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

C15H28N2O3 — CID 107094854

IUPACtert-butyl N-[3-(3,4-dihydro-2H-pyran-2-ylmethylamino)propyl]-N-methylcarbamate
SMILESCN(CCCNCC1CCC=CO1)C(=O)OC(C)(C)C
InChIInChI=1S/C15H28N2O3/c1-15(2,3)20-14(18)17(4)10-7-9-16-12-13-8-5-6-11-19-13/h6,11,13,16H,5,7-10,12H2,1-4H3
InChIKeyFQIUSMFGDQKNJG-UHFFFAOYSA-N
MW284.40 g/mol
LogP2.53
Rot. Bonds6

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

tert-butyl N-[3-(3,4-dihydro-2H-pyran-2-ylmethylamino)propyl]-N-methylcarbamate (PubChem CID 107094854) has the molecular formula C15H28N2O3 and a molecular weight of 284.40 g/mol. Its IUPAC name is tert-butyl N-[3-(3,4-dihydro-2H-pyran-2-ylmethylamino)propyl]-N-methylcarbamate.

Molecular Properties

Compound Nametert-butyl N-[3-(3,4-dihydro-2H-pyran-2-ylmethylamino)propyl]-N-methylcarbamate
PubChem CID107094854
Molecular FormulaC15H28N2O3
Molecular Weight284.40 g/mol
Exact Mass284.21
IUPAC Nametert-butyl N-[3-(3,4-dihydro-2H-pyran-2-ylmethylamino)propyl]-N-methylcarbamate
SMILESCN(CCCNCC1CCC=CO1)C(=O)OC(C)(C)C
InChIInChI=1S/C15H28N2O3/c1-15(2,3)20-14(18)17(4)10-7-9-16-12-13-8-5-6-11-19-13/h6,11,13,16H,5,7-10,12H2,1-4H3
InChIKeyFQIUSMFGDQKNJG-UHFFFAOYSA-N
XLogP2.53
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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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
tert-butyl 4-[(2-methyl-3H-furan-2-yl)methylamino]piperidine-1-carboxylate
CID 53443720
3-(3,4-dihydro-2H-pyran-2-ylmethylamino)-N,N-diethylpropanamide
CID 62064241
ethyl 4-(3,4-dihydro-2H-pyran-2-ylmethylamino)piperidine-1-carboxylate
CID 62064539
3-(3,4-dihydro-2H-pyran-2-ylmethylamino)-N,N-dimethylpropanamide
CID 62065091
3-(3,4-dihydro-2H-pyran-2-ylmethylamino)-N-propylpropanamide
CID 62065110
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

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-(3,4-dihydro-2H-pyran-2-ylmethylamino)propyl]-N-methylcarbamate?
The IUPAC name of tert-butyl N-[3-(3,4-dihydro-2H-pyran-2-ylmethylamino)propyl]-N-methylcarbamate (CID 107094854) is tert-butyl N-[3-(3,4-dihydro-2H-pyran-2-ylmethylamino)propyl]-N-methylcarbamate.
What is the SMILES notation for tert-butyl N-[3-(3,4-dihydro-2H-pyran-2-ylmethylamino)propyl]-N-methylcarbamate?
The canonical SMILES for tert-butyl N-[3-(3,4-dihydro-2H-pyran-2-ylmethylamino)propyl]-N-methylcarbamate is CN(CCCNCC1CCC=CO1)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[3-(3,4-dihydro-2H-pyran-2-ylmethylamino)propyl]-N-methylcarbamate?
The InChIKey is FQIUSMFGDQKNJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O3/c1-15(2,3)20-14(18)17(4)10-7-9-16-12-13-8-5-6-11-19-13/h6,11,13,16H,5,7-10,12H2,1-4H3.
What are the key properties of tert-butyl N-[3-(3,4-dihydro-2H-pyran-2-ylmethylamino)propyl]-N-methylcarbamate?
tert-butyl N-[3-(3,4-dihydro-2H-pyran-2-ylmethylamino)propyl]-N-methylcarbamate has a molecular weight of 284.40 g/mol, XLogP of 2.53, 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)propyl]-N-methylcarbamate is sourced from PubChem (CID 107094854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).