N-(3,6-dihydro-2H-pyran-5-ylmethyl)-1-methoxyhexan-2-amine

C13H25NO2 — CID 115742119

IUPACN-(3,6-dihydro-2H-pyran-5-ylmethyl)-1-methoxyhexan-2-amine
SMILESCCCCC(COC)NCC1=CCCOC1
InChIInChI=1S/C13H25NO2/c1-3-4-7-13(11-15-2)14-9-12-6-5-8-16-10-12/h6,13-14H,3-5,7-11H2,1-2H3
InChIKeyBJHFUIIQMZJZHS-UHFFFAOYSA-N
MW227.35 g/mol
LogP2.13
Rot. Bonds8

About N-(3,6-dihydro-2H-pyran-5-ylmethyl)-1-methoxyhexan-2-amine

N-(3,6-dihydro-2H-pyran-5-ylmethyl)-1-methoxyhexan-2-amine (PubChem CID 115742119) has the molecular formula C13H25NO2 and a molecular weight of 227.35 g/mol. Its IUPAC name is N-(3,6-dihydro-2H-pyran-5-ylmethyl)-1-methoxyhexan-2-amine.

Molecular Properties

Compound NameN-(3,6-dihydro-2H-pyran-5-ylmethyl)-1-methoxyhexan-2-amine
PubChem CID115742119
Molecular FormulaC13H25NO2
Molecular Weight227.35 g/mol
Exact Mass227.19
IUPAC NameN-(3,6-dihydro-2H-pyran-5-ylmethyl)-1-methoxyhexan-2-amine
SMILESCCCCC(COC)NCC1=CCCOC1
InChIInChI=1S/C13H25NO2/c1-3-4-7-13(11-15-2)14-9-12-6-5-8-16-10-12/h6,13-14H,3-5,7-11H2,1-2H3
InChIKeyBJHFUIIQMZJZHS-UHFFFAOYSA-N
XLogP2.13
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 52.13
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

1-methoxy-N-[(5-methylfuran-2-yl)methyl]hexan-2-amine
CID 115639638
N-(3,6-dihydro-2H-pyran-5-ylmethyl)ethanamine
CID 115674359
1-methoxy-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]hexan-2-amine
CID 115709297
1-methoxy-N-[(1-methylimidazol-2-yl)methyl]hexan-2-amine
CID 115639642
1-methoxy-N-(4-methoxybutyl)hexan-2-amine
CID 115709746
(2S)-1-methoxy-N-methylhexan-2-amine
CID 177242292
N-(3,6-dihydro-2H-pyran-5-ylmethyl)-2-ethylbutan-1-amine
CID 115742022
N-(2-cyclobutylethyl)-1-methoxyhexan-2-amine
CID 115893443
N-ethyl-1-methoxydecan-2-amine
CID 62320563
1-cyclohexyl-N-(3,6-dihydro-2H-pyran-5-ylmethyl)ethanamine
CID 115742173
2-(1-methoxyhexan-2-ylamino)-N-methylacetamide
CID 115706822
2-[2-(1-methoxyhexan-2-ylamino)ethoxy]ethanol
CID 115707263

Frequently Asked Questions

What is the IUPAC name of N-(3,6-dihydro-2H-pyran-5-ylmethyl)-1-methoxyhexan-2-amine?
The IUPAC name of N-(3,6-dihydro-2H-pyran-5-ylmethyl)-1-methoxyhexan-2-amine (CID 115742119) is N-(3,6-dihydro-2H-pyran-5-ylmethyl)-1-methoxyhexan-2-amine.
What is the SMILES notation for N-(3,6-dihydro-2H-pyran-5-ylmethyl)-1-methoxyhexan-2-amine?
The canonical SMILES for N-(3,6-dihydro-2H-pyran-5-ylmethyl)-1-methoxyhexan-2-amine is CCCCC(COC)NCC1=CCCOC1.
What is the InChIKey of N-(3,6-dihydro-2H-pyran-5-ylmethyl)-1-methoxyhexan-2-amine?
The InChIKey is BJHFUIIQMZJZHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO2/c1-3-4-7-13(11-15-2)14-9-12-6-5-8-16-10-12/h6,13-14H,3-5,7-11H2,1-2H3.
What are the key properties of N-(3,6-dihydro-2H-pyran-5-ylmethyl)-1-methoxyhexan-2-amine?
N-(3,6-dihydro-2H-pyran-5-ylmethyl)-1-methoxyhexan-2-amine has a molecular weight of 227.35 g/mol, XLogP of 2.13, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,6-dihydro-2H-pyran-5-ylmethyl)-1-methoxyhexan-2-amine is sourced from PubChem (CID 115742119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).