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

C11H19NO2 — CID 115763787

IUPACN-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]oxolan-3-amine
SMILESC1=C(CCNC2CCOC2)CCOC1
InChIInChI=1S/C11H19NO2/c1(10-2-6-13-7-3-10)5-12-11-4-8-14-9-11/h2,11-12H,1,3-9H2
InChIKeyFNCJHBLDDADQEH-UHFFFAOYSA-N
MW197.28 g/mol
LogP1.10
Rot. Bonds4

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

N-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]oxolan-3-amine (PubChem CID 115763787) has the molecular formula C11H19NO2 and a molecular weight of 197.28 g/mol. Its IUPAC name is N-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]oxolan-3-amine.

Molecular Properties

Compound NameN-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]oxolan-3-amine
PubChem CID115763787
Molecular FormulaC11H19NO2
Molecular Weight197.28 g/mol
Exact Mass197.14
IUPAC NameN-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]oxolan-3-amine
SMILESC1=C(CCNC2CCOC2)CCOC1
InChIInChI=1S/C11H19NO2/c1(10-2-6-13-7-3-10)5-12-11-4-8-14-9-11/h2,11-12H,1,3-9H2
InChIKeyFNCJHBLDDADQEH-UHFFFAOYSA-N
XLogP1.10
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 51.10
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]cyclobutanamine
CID 104005710
N-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]hex-5-en-2-amine
CID 104583559
[1-[4-(3,6-dihydro-2H-pyran-5-ylmethylamino)butyl]pyrrolidin-2-yl]methanol
CID 112353611
N-[[5-[[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]oxolan-2-yl]methyl]propan-2-amine
CID 114413378
N-(3,6-dihydro-2H-pyran-5-ylmethyl)-1-(oxolan-2-yl)methanamine
CID 115674346
N-(3,6-dihydro-2H-pyran-5-ylmethyl)-1-(oxolan-2-yl)ethanamine
CID 115674383
N-(3,6-dihydro-2H-pyran-5-ylmethyl)-5-methoxypentan-1-amine
CID 115741936
N-(3,6-dihydro-2H-pyran-5-ylmethyl)oxan-3-amine
CID 115742018
N-(3,6-dihydro-2H-pyran-5-ylmethyl)-1-methoxyhexan-2-amine
CID 115742119
2-(3,6-dihydro-2H-pyran-5-ylmethylamino)cyclopentan-1-ol
CID 115742140
N-(3,6-dihydro-2H-pyran-5-ylmethyl)-1-methoxybutan-2-amine
CID 115742144
1-(3,6-dihydro-2H-pyran-5-yl)-N-[(2-methyloxolan-2-yl)methyl]methanamine
CID 115742281

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]oxolan-3-amine?
The IUPAC name of N-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]oxolan-3-amine (CID 115763787) is N-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]oxolan-3-amine.
What is the SMILES notation for N-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]oxolan-3-amine?
The canonical SMILES for N-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]oxolan-3-amine is C1=C(CCNC2CCOC2)CCOC1.
What is the InChIKey of N-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]oxolan-3-amine?
The InChIKey is FNCJHBLDDADQEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO2/c1(10-2-6-13-7-3-10)5-12-11-4-8-14-9-11/h2,11-12H,1,3-9H2.
What are the key properties of N-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]oxolan-3-amine?
N-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]oxolan-3-amine has a molecular weight of 197.28 g/mol, XLogP of 1.10, 4 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]oxolan-3-amine is sourced from PubChem (CID 115763787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).