N-(3,6-dihydro-2H-pyran-5-ylmethyl)-1-(oxolan-2-yl)methanamine

C11H19NO2 — CID 115674346

IUPACN-(3,6-dihydro-2H-pyran-5-ylmethyl)-1-(oxolan-2-yl)methanamine
SMILESC1=C(CNCC2CCCO2)COCC1
InChIInChI=1S/C11H19NO2/c1-3-10(9-13-5-1)7-12-8-11-4-2-6-14-11/h3,11-12H,1-2,4-9H2
InChIKeyBNAOCKBZRUXILT-UHFFFAOYSA-N
MW197.28 g/mol
LogP1.10
Rot. Bonds4

About N-(3,6-dihydro-2H-pyran-5-ylmethyl)-1-(oxolan-2-yl)methanamine

N-(3,6-dihydro-2H-pyran-5-ylmethyl)-1-(oxolan-2-yl)methanamine (PubChem CID 115674346) has the molecular formula C11H19NO2 and a molecular weight of 197.28 g/mol. Its IUPAC name is N-(3,6-dihydro-2H-pyran-5-ylmethyl)-1-(oxolan-2-yl)methanamine.

Molecular Properties

Compound NameN-(3,6-dihydro-2H-pyran-5-ylmethyl)-1-(oxolan-2-yl)methanamine
PubChem CID115674346
Molecular FormulaC11H19NO2
Molecular Weight197.28 g/mol
Exact Mass197.14
IUPAC NameN-(3,6-dihydro-2H-pyran-5-ylmethyl)-1-(oxolan-2-yl)methanamine
SMILESC1=C(CNCC2CCCO2)COCC1
InChIInChI=1S/C11H19NO2/c1-3-10(9-13-5-1)7-12-8-11-4-2-6-14-11/h3,11-12H,1-2,4-9H2
InChIKeyBNAOCKBZRUXILT-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

(7S,7aS)-5,7-dimethyl-1,2,3,5,7,7a-hexahydropyrano[3,4-b]pyrrole;ethane
CID 177009638
(2Z)-N-(2-methoxyethyl)-2-(oxolan-2-ylmethylidene)butan-1-amine
CID 82837039
(2Z)-N-(2-methoxyethyl)-3-methyl-2-(oxolan-2-ylmethylidene)butan-1-amine
CID 82837479
(E)-N-(2-methoxyethyl)-2-methyl-3-(oxolan-2-yl)prop-2-en-1-amine
CID 82838396
(E)-N-(2-methoxyethyl)-2-methyl-3-(5-methyloxolan-2-yl)prop-2-en-1-amine
CID 82838798
(2E)-N-(2-methoxyethyl)-2-[(5-methyloxolan-2-yl)methylidene]butan-1-amine
CID 82839427
N-(3,6-dihydro-2H-pyran-5-ylmethyl)-2-propan-2-yloxyethanamine
CID 104588142
[5-[[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]oxolan-2-yl]methanamine
CID 113581624
1-[5-[[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]oxolan-2-yl]-N-methylmethanamine
CID 113582045
N-[[5-[[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]oxolan-2-yl]methyl]propan-2-amine
CID 114413378
N-[[5-[[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]oxolan-2-yl]methyl]propan-1-amine
CID 114413442
N-[[5-[[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]oxolan-2-yl]methyl]-2-methylpropan-1-amine
CID 114413473

Frequently Asked Questions

What is the IUPAC name of N-(3,6-dihydro-2H-pyran-5-ylmethyl)-1-(oxolan-2-yl)methanamine?
The IUPAC name of N-(3,6-dihydro-2H-pyran-5-ylmethyl)-1-(oxolan-2-yl)methanamine (CID 115674346) is N-(3,6-dihydro-2H-pyran-5-ylmethyl)-1-(oxolan-2-yl)methanamine.
What is the SMILES notation for N-(3,6-dihydro-2H-pyran-5-ylmethyl)-1-(oxolan-2-yl)methanamine?
The canonical SMILES for N-(3,6-dihydro-2H-pyran-5-ylmethyl)-1-(oxolan-2-yl)methanamine is C1=C(CNCC2CCCO2)COCC1.
What is the InChIKey of N-(3,6-dihydro-2H-pyran-5-ylmethyl)-1-(oxolan-2-yl)methanamine?
The InChIKey is BNAOCKBZRUXILT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO2/c1-3-10(9-13-5-1)7-12-8-11-4-2-6-14-11/h3,11-12H,1-2,4-9H2.
What are the key properties of N-(3,6-dihydro-2H-pyran-5-ylmethyl)-1-(oxolan-2-yl)methanamine?
N-(3,6-dihydro-2H-pyran-5-ylmethyl)-1-(oxolan-2-yl)methanamine 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-(3,6-dihydro-2H-pyran-5-ylmethyl)-1-(oxolan-2-yl)methanamine is sourced from PubChem (CID 115674346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).