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

C14H26N2O3 — CID 107094851

IUPACtert-butyl N-[3-(3,4-dihydro-2H-pyran-2-ylmethylamino)propyl]carbamate
SMILESCC(C)(C)OC(=O)NCCCNCC1CCC=CO1
InChIInChI=1S/C14H26N2O3/c1-14(2,3)19-13(17)16-9-6-8-15-11-12-7-4-5-10-18-12/h5,10,12,15H,4,6-9,11H2,1-3H3,(H,16,17)
InChIKeyDGXZMNSIGXIAFX-UHFFFAOYSA-N
MW270.37 g/mol
LogP2.18
Rot. Bonds6

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

tert-butyl N-[3-(3,4-dihydro-2H-pyran-2-ylmethylamino)propyl]carbamate (PubChem CID 107094851) has the molecular formula C14H26N2O3 and a molecular weight of 270.37 g/mol. Its IUPAC name is tert-butyl N-[3-(3,4-dihydro-2H-pyran-2-ylmethylamino)propyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-(3,4-dihydro-2H-pyran-2-ylmethylamino)propyl]carbamate
PubChem CID107094851
Molecular FormulaC14H26N2O3
Molecular Weight270.37 g/mol
Exact Mass270.19
IUPAC Nametert-butyl N-[3-(3,4-dihydro-2H-pyran-2-ylmethylamino)propyl]carbamate
SMILESCC(C)(C)OC(=O)NCCCNCC1CCC=CO1
InChIInChI=1S/C14H26N2O3/c1-14(2,3)19-13(17)16-9-6-8-15-11-12-7-4-5-10-18-12/h5,10,12,15H,4,6-9,11H2,1-3H3,(H,16,17)
InChIKeyDGXZMNSIGXIAFX-UHFFFAOYSA-N
XLogP2.18
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
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

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 N-[3-[[(6R)-6-methoxycyclohex-3-en-1-yl]amino]propyl]carbamate
CID 163646342
ethyl 4-(3,4-dihydro-2H-pyran-2-ylmethylamino)piperidine-1-carboxylate
CID 62064539
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
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

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-(3,4-dihydro-2H-pyran-2-ylmethylamino)propyl]carbamate?
The IUPAC name of tert-butyl N-[3-(3,4-dihydro-2H-pyran-2-ylmethylamino)propyl]carbamate (CID 107094851) is tert-butyl N-[3-(3,4-dihydro-2H-pyran-2-ylmethylamino)propyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-(3,4-dihydro-2H-pyran-2-ylmethylamino)propyl]carbamate?
The canonical SMILES for tert-butyl N-[3-(3,4-dihydro-2H-pyran-2-ylmethylamino)propyl]carbamate is CC(C)(C)OC(=O)NCCCNCC1CCC=CO1.
What is the InChIKey of tert-butyl N-[3-(3,4-dihydro-2H-pyran-2-ylmethylamino)propyl]carbamate?
The InChIKey is DGXZMNSIGXIAFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O3/c1-14(2,3)19-13(17)16-9-6-8-15-11-12-7-4-5-10-18-12/h5,10,12,15H,4,6-9,11H2,1-3H3,(H,16,17).
What are the key properties of tert-butyl N-[3-(3,4-dihydro-2H-pyran-2-ylmethylamino)propyl]carbamate?
tert-butyl N-[3-(3,4-dihydro-2H-pyran-2-ylmethylamino)propyl]carbamate has a molecular weight of 270.37 g/mol, XLogP of 2.18, 6 rotatable bonds, 2 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]carbamate is sourced from PubChem (CID 107094851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).