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

C15H28N2O3 — CID 107250959

IUPACtert-butyl N-[2-(3,4-dihydro-2H-pyran-2-ylmethylamino)butyl]carbamate
SMILESCCC(CNC(=O)OC(C)(C)C)NCC1CCC=CO1
InChIInChI=1S/C15H28N2O3/c1-5-12(10-17-14(18)20-15(2,3)4)16-11-13-8-6-7-9-19-13/h7,9,12-13,16H,5-6,8,10-11H2,1-4H3,(H,17,18)
InChIKeyBJYSQGXBRIGFCO-UHFFFAOYSA-N
MW284.40 g/mol
LogP2.57
Rot. Bonds6

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

tert-butyl N-[2-(3,4-dihydro-2H-pyran-2-ylmethylamino)butyl]carbamate (PubChem CID 107250959) has the molecular formula C15H28N2O3 and a molecular weight of 284.40 g/mol. Its IUPAC name is tert-butyl N-[2-(3,4-dihydro-2H-pyran-2-ylmethylamino)butyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-(3,4-dihydro-2H-pyran-2-ylmethylamino)butyl]carbamate
PubChem CID107250959
Molecular FormulaC15H28N2O3
Molecular Weight284.40 g/mol
Exact Mass284.21
IUPAC Nametert-butyl N-[2-(3,4-dihydro-2H-pyran-2-ylmethylamino)butyl]carbamate
SMILESCCC(CNC(=O)OC(C)(C)C)NCC1CCC=CO1
InChIInChI=1S/C15H28N2O3/c1-5-12(10-17-14(18)20-15(2,3)4)16-11-13-8-6-7-9-19-13/h7,9,12-13,16H,5-6,8,10-11H2,1-4H3,(H,17,18)
InChIKeyBJYSQGXBRIGFCO-UHFFFAOYSA-N
XLogP2.57
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
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
tert-butyl N-[(2S)-1-[[(3R)-6-(aminomethyl)-3,4-dihydro-2H-pyran-3-yl]amino]propan-2-yl]carbamate
CID 126745803
tert-butyl N-(4-azido-3,4-dihydro-2H-pyran-3-yl)carbamate
CID 140985244
tert-butyl N-[3-[[(6R)-6-methoxycyclohex-3-en-1-yl]amino]propyl]carbamate
CID 163646342
[(2S,3R)-1-[(2-methylpropan-2-yl)oxycarbonyl]-2-prop-2-enylazetidin-3-yl] piperazine-1-carboxylate
CID 176037095
tert-butyl N-[(2R,4S)-2-methyl-3,4-dihydro-2H-pyran-4-yl]carbamate
CID 11367866
ethyl 4-(3,4-dihydro-2H-pyran-2-ylmethylamino)piperidine-1-carboxylate
CID 62064539
N-[2-(3,4-dihydro-2H-pyran-2-ylmethylamino)ethyl]acetamide
CID 62064884
2-(3,4-dihydro-2H-pyran-2-ylmethylamino)-N-propan-2-ylacetamide
CID 62066907
2-(3,4-dihydro-2H-pyran-2-ylmethylamino)ethyl carbamate
CID 83202562

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-(3,4-dihydro-2H-pyran-2-ylmethylamino)butyl]carbamate?
The IUPAC name of tert-butyl N-[2-(3,4-dihydro-2H-pyran-2-ylmethylamino)butyl]carbamate (CID 107250959) is tert-butyl N-[2-(3,4-dihydro-2H-pyran-2-ylmethylamino)butyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-(3,4-dihydro-2H-pyran-2-ylmethylamino)butyl]carbamate?
The canonical SMILES for tert-butyl N-[2-(3,4-dihydro-2H-pyran-2-ylmethylamino)butyl]carbamate is CCC(CNC(=O)OC(C)(C)C)NCC1CCC=CO1.
What is the InChIKey of tert-butyl N-[2-(3,4-dihydro-2H-pyran-2-ylmethylamino)butyl]carbamate?
The InChIKey is BJYSQGXBRIGFCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O3/c1-5-12(10-17-14(18)20-15(2,3)4)16-11-13-8-6-7-9-19-13/h7,9,12-13,16H,5-6,8,10-11H2,1-4H3,(H,17,18).
What are the key properties of tert-butyl N-[2-(3,4-dihydro-2H-pyran-2-ylmethylamino)butyl]carbamate?
tert-butyl N-[2-(3,4-dihydro-2H-pyran-2-ylmethylamino)butyl]carbamate has a molecular weight of 284.40 g/mol, XLogP of 2.57, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-(3,4-dihydro-2H-pyran-2-ylmethylamino)butyl]carbamate is sourced from PubChem (CID 107250959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).