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

C14H26N2O3 — CID 107247579

IUPACtert-butyl N-[1-(3,4-dihydro-2H-pyran-2-ylmethylamino)propan-2-yl]carbamate
SMILESCC(CNCC1CCC=CO1)NC(=O)OC(C)(C)C
InChIInChI=1S/C14H26N2O3/c1-11(16-13(17)19-14(2,3)4)9-15-10-12-7-5-6-8-18-12/h6,8,11-12,15H,5,7,9-10H2,1-4H3,(H,16,17)
InChIKeyGHGHLAMBVCKZBZ-UHFFFAOYSA-N
MW270.37 g/mol
LogP2.18
Rot. Bonds5

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

tert-butyl N-[1-(3,4-dihydro-2H-pyran-2-ylmethylamino)propan-2-yl]carbamate (PubChem CID 107247579) has the molecular formula C14H26N2O3 and a molecular weight of 270.37 g/mol. Its IUPAC name is tert-butyl N-[1-(3,4-dihydro-2H-pyran-2-ylmethylamino)propan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-(3,4-dihydro-2H-pyran-2-ylmethylamino)propan-2-yl]carbamate
PubChem CID107247579
Molecular FormulaC14H26N2O3
Molecular Weight270.37 g/mol
Exact Mass270.19
IUPAC Nametert-butyl N-[1-(3,4-dihydro-2H-pyran-2-ylmethylamino)propan-2-yl]carbamate
SMILESCC(CNCC1CCC=CO1)NC(=O)OC(C)(C)C
InChIInChI=1S/C14H26N2O3/c1-11(16-13(17)19-14(2,3)4)9-15-10-12-7-5-6-8-18-12/h6,8,11-12,15H,5,7,9-10H2,1-4H3,(H,16,17)
InChIKeyGHGHLAMBVCKZBZ-UHFFFAOYSA-N
XLogP2.18
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 52.18
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-[1-(3,4-dihydro-2H-pyran-2-ylmethylamino)propan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[1-(3,4-dihydro-2H-pyran-2-ylmethylamino)propan-2-yl]carbamate (CID 107247579) is tert-butyl N-[1-(3,4-dihydro-2H-pyran-2-ylmethylamino)propan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[1-(3,4-dihydro-2H-pyran-2-ylmethylamino)propan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[1-(3,4-dihydro-2H-pyran-2-ylmethylamino)propan-2-yl]carbamate is CC(CNCC1CCC=CO1)NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[1-(3,4-dihydro-2H-pyran-2-ylmethylamino)propan-2-yl]carbamate?
The InChIKey is GHGHLAMBVCKZBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O3/c1-11(16-13(17)19-14(2,3)4)9-15-10-12-7-5-6-8-18-12/h6,8,11-12,15H,5,7,9-10H2,1-4H3,(H,16,17).
What are the key properties of tert-butyl N-[1-(3,4-dihydro-2H-pyran-2-ylmethylamino)propan-2-yl]carbamate?
tert-butyl N-[1-(3,4-dihydro-2H-pyran-2-ylmethylamino)propan-2-yl]carbamate has a molecular weight of 270.37 g/mol, XLogP of 2.18, 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)propan-2-yl]carbamate is sourced from PubChem (CID 107247579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).