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

C16H30N2O3 — CID 107253562

IUPACtert-butyl N-[2-(3,4-dihydro-2H-pyran-2-ylmethylamino)pentyl]carbamate
SMILESCCCC(CNC(=O)OC(C)(C)C)NCC1CCC=CO1
InChIInChI=1S/C16H30N2O3/c1-5-8-13(11-18-15(19)21-16(2,3)4)17-12-14-9-6-7-10-20-14/h7,10,13-14,17H,5-6,8-9,11-12H2,1-4H3,(H,18,19)
InChIKeySGPWCQRORKFFCV-UHFFFAOYSA-N
MW298.43 g/mol
LogP2.96
Rot. Bonds7

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

tert-butyl N-[2-(3,4-dihydro-2H-pyran-2-ylmethylamino)pentyl]carbamate (PubChem CID 107253562) has the molecular formula C16H30N2O3 and a molecular weight of 298.43 g/mol. Its IUPAC name is tert-butyl N-[2-(3,4-dihydro-2H-pyran-2-ylmethylamino)pentyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-(3,4-dihydro-2H-pyran-2-ylmethylamino)pentyl]carbamate
PubChem CID107253562
Molecular FormulaC16H30N2O3
Molecular Weight298.43 g/mol
Exact Mass298.23
IUPAC Nametert-butyl N-[2-(3,4-dihydro-2H-pyran-2-ylmethylamino)pentyl]carbamate
SMILESCCCC(CNC(=O)OC(C)(C)C)NCC1CCC=CO1
InChIInChI=1S/C16H30N2O3/c1-5-8-13(11-18-15(19)21-16(2,3)4)17-12-14-9-6-7-10-20-14/h7,10,13-14,17H,5-6,8-9,11-12H2,1-4H3,(H,18,19)
InChIKeySGPWCQRORKFFCV-UHFFFAOYSA-N
XLogP2.96
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 52.96
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
[(2S,3R)-1-[(2-methylpropan-2-yl)oxycarbonyl]-2-prop-2-enylazetidin-3-yl] piperazine-1-carboxylate
CID 176037095
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-[(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

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-(3,4-dihydro-2H-pyran-2-ylmethylamino)pentyl]carbamate?
The IUPAC name of tert-butyl N-[2-(3,4-dihydro-2H-pyran-2-ylmethylamino)pentyl]carbamate (CID 107253562) is tert-butyl N-[2-(3,4-dihydro-2H-pyran-2-ylmethylamino)pentyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-(3,4-dihydro-2H-pyran-2-ylmethylamino)pentyl]carbamate?
The canonical SMILES for tert-butyl N-[2-(3,4-dihydro-2H-pyran-2-ylmethylamino)pentyl]carbamate is CCCC(CNC(=O)OC(C)(C)C)NCC1CCC=CO1.
What is the InChIKey of tert-butyl N-[2-(3,4-dihydro-2H-pyran-2-ylmethylamino)pentyl]carbamate?
The InChIKey is SGPWCQRORKFFCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O3/c1-5-8-13(11-18-15(19)21-16(2,3)4)17-12-14-9-6-7-10-20-14/h7,10,13-14,17H,5-6,8-9,11-12H2,1-4H3,(H,18,19).
What are the key properties of tert-butyl N-[2-(3,4-dihydro-2H-pyran-2-ylmethylamino)pentyl]carbamate?
tert-butyl N-[2-(3,4-dihydro-2H-pyran-2-ylmethylamino)pentyl]carbamate has a molecular weight of 298.43 g/mol, XLogP of 2.96, 7 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)pentyl]carbamate is sourced from PubChem (CID 107253562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).