N-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]-4-methoxybutan-2-amine

C12H23NO2 — CID 115763581

IUPACN-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]-4-methoxybutan-2-amine
SMILESCOCCC(C)NCCC1=CCOCC1
InChIInChI=1S/C12H23NO2/c1-11(4-8-14-2)13-7-3-12-5-9-15-10-6-12/h5,11,13H,3-4,6-10H2,1-2H3
InChIKeyMPKIZAVRJBJWFT-UHFFFAOYSA-N
MW213.32 g/mol
LogP1.74
Rot. Bonds7

About N-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]-4-methoxybutan-2-amine

N-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]-4-methoxybutan-2-amine (PubChem CID 115763581) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is N-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]-4-methoxybutan-2-amine.

Molecular Properties

Compound NameN-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]-4-methoxybutan-2-amine
PubChem CID115763581
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC NameN-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]-4-methoxybutan-2-amine
SMILESCOCCC(C)NCCC1=CCOCC1
InChIInChI=1S/C12H23NO2/c1-11(4-8-14-2)13-7-3-12-5-9-15-10-6-12/h5,11,13H,3-4,6-10H2,1-2H3
InChIKeyMPKIZAVRJBJWFT-UHFFFAOYSA-N
XLogP1.74
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]-1-(furan-2-yl)ethanamine
CID 115896021
N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-4-methoxybutan-2-amine
CID 115688369
(2S)-N-[2-(cyclohexen-1-yl)ethyl]-1-methoxypropan-2-amine
CID 94473033
1-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]-3-[(2S)-1-hydroxypropan-2-yl]urea
CID 109389130
N-[2-(cyclopenten-1-yl)ethyl]pentan-2-amine
CID 103904430
1-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]-3-ethyl-2-(3-methylbutyl)guanidine;hydroiodide
CID 109391253
N-(2-fluoroethyl)-4-methoxybutan-2-amine
CID 80695684
4-methoxy-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]butan-2-amine
CID 63332509
N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]pentan-2-amine
CID 107886855
N-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]thietan-3-amine
CID 155896011
N-(3,6-dihydro-2H-pyran-4-ylmethyl)but-3-yn-2-amine
CID 131196717
2-tert-butyl-N-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]-6-(methoxymethyl)pyrimidin-4-amine
CID 133390554

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]-4-methoxybutan-2-amine?
The IUPAC name of N-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]-4-methoxybutan-2-amine (CID 115763581) is N-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]-4-methoxybutan-2-amine.
What is the SMILES notation for N-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]-4-methoxybutan-2-amine?
The canonical SMILES for N-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]-4-methoxybutan-2-amine is COCCC(C)NCCC1=CCOCC1.
What is the InChIKey of N-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]-4-methoxybutan-2-amine?
The InChIKey is MPKIZAVRJBJWFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2/c1-11(4-8-14-2)13-7-3-12-5-9-15-10-6-12/h5,11,13H,3-4,6-10H2,1-2H3.
What are the key properties of N-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]-4-methoxybutan-2-amine?
N-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]-4-methoxybutan-2-amine has a molecular weight of 213.32 g/mol, XLogP of 1.74, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]-4-methoxybutan-2-amine is sourced from PubChem (CID 115763581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).