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

C14H26N2O3 — CID 107094743

IUPACtert-butyl N-[2-(3,4-dihydro-2H-pyran-2-ylmethylamino)ethyl]-N-methylcarbamate
SMILESCN(CCNCC1CCC=CO1)C(=O)OC(C)(C)C
InChIInChI=1S/C14H26N2O3/c1-14(2,3)19-13(17)16(4)9-8-15-11-12-7-5-6-10-18-12/h6,10,12,15H,5,7-9,11H2,1-4H3
InChIKeyBQPXHCHBCMDAES-UHFFFAOYSA-N
MW270.37 g/mol
LogP2.14
Rot. Bonds5

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

tert-butyl N-[2-(3,4-dihydro-2H-pyran-2-ylmethylamino)ethyl]-N-methylcarbamate (PubChem CID 107094743) has the molecular formula C14H26N2O3 and a molecular weight of 270.37 g/mol. Its IUPAC name is tert-butyl N-[2-(3,4-dihydro-2H-pyran-2-ylmethylamino)ethyl]-N-methylcarbamate.

Molecular Properties

Compound Nametert-butyl N-[2-(3,4-dihydro-2H-pyran-2-ylmethylamino)ethyl]-N-methylcarbamate
PubChem CID107094743
Molecular FormulaC14H26N2O3
Molecular Weight270.37 g/mol
Exact Mass270.19
IUPAC Nametert-butyl N-[2-(3,4-dihydro-2H-pyran-2-ylmethylamino)ethyl]-N-methylcarbamate
SMILESCN(CCNCC1CCC=CO1)C(=O)OC(C)(C)C
InChIInChI=1S/C14H26N2O3/c1-14(2,3)19-13(17)16(4)9-8-15-11-12-7-5-6-10-18-12/h6,10,12,15H,5,7-9,11H2,1-4H3
InChIKeyBQPXHCHBCMDAES-UHFFFAOYSA-N
XLogP2.14
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 52.14
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
1-[(R)-1-(3,4-Dihydro-2H-pyran-2-yl)methyl]-3-(2-dimethylamino-ethyl)urea
CID 46185757
1-(3,4-dihydro-2H-pyran-2-ylmethyl)-3-[2-(dimethylamino)ethyl]urea
CID 68735262
1-(3,4-dihydro-2H-pyran-2-ylmethyl)-3-[2-(dimethylamino)ethyl]urea;ethane
CID 143819458
[(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
N-[2-(3,4-dihydro-2H-pyran-2-ylmethylamino)ethyl]acetamide
CID 62064884
2-(3,4-dihydro-2H-pyran-2-ylmethylamino)-N,N-dimethylacetamide
CID 62065786
N-[2-(3,4-dihydro-2H-pyran-2-ylmethylamino)ethyl]-2-methylpropanamide
CID 62066706
2-(3,4-dihydro-2H-pyran-2-ylmethylamino)-N-ethylacetamide
CID 62066905

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-(3,4-dihydro-2H-pyran-2-ylmethylamino)ethyl]-N-methylcarbamate?
The IUPAC name of tert-butyl N-[2-(3,4-dihydro-2H-pyran-2-ylmethylamino)ethyl]-N-methylcarbamate (CID 107094743) is tert-butyl N-[2-(3,4-dihydro-2H-pyran-2-ylmethylamino)ethyl]-N-methylcarbamate.
What is the SMILES notation for tert-butyl N-[2-(3,4-dihydro-2H-pyran-2-ylmethylamino)ethyl]-N-methylcarbamate?
The canonical SMILES for tert-butyl N-[2-(3,4-dihydro-2H-pyran-2-ylmethylamino)ethyl]-N-methylcarbamate is CN(CCNCC1CCC=CO1)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[2-(3,4-dihydro-2H-pyran-2-ylmethylamino)ethyl]-N-methylcarbamate?
The InChIKey is BQPXHCHBCMDAES-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O3/c1-14(2,3)19-13(17)16(4)9-8-15-11-12-7-5-6-10-18-12/h6,10,12,15H,5,7-9,11H2,1-4H3.
What are the key properties of tert-butyl N-[2-(3,4-dihydro-2H-pyran-2-ylmethylamino)ethyl]-N-methylcarbamate?
tert-butyl N-[2-(3,4-dihydro-2H-pyran-2-ylmethylamino)ethyl]-N-methylcarbamate has a molecular weight of 270.37 g/mol, XLogP of 2.14, 5 rotatable bonds, 1 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)ethyl]-N-methylcarbamate is sourced from PubChem (CID 107094743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).