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

C11H19NO2 — CID 115742018

IUPACN-(3,6-dihydro-2H-pyran-5-ylmethyl)oxan-3-amine
SMILESC1=C(CNC2CCCOC2)COCC1
InChIInChI=1S/C11H19NO2/c1-3-10(8-13-5-1)7-12-11-4-2-6-14-9-11/h3,11-12H,1-2,4-9H2
InChIKeyIVUPDKXJROZUEU-UHFFFAOYSA-N
MW197.28 g/mol
LogP1.10
Rot. Bonds3

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

N-(3,6-dihydro-2H-pyran-5-ylmethyl)oxan-3-amine (PubChem CID 115742018) 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)oxan-3-amine.

Molecular Properties

Compound NameN-(3,6-dihydro-2H-pyran-5-ylmethyl)oxan-3-amine
PubChem CID115742018
Molecular FormulaC11H19NO2
Molecular Weight197.28 g/mol
Exact Mass197.14
IUPAC NameN-(3,6-dihydro-2H-pyran-5-ylmethyl)oxan-3-amine
SMILESC1=C(CNC2CCCOC2)COCC1
InChIInChI=1S/C11H19NO2/c1-3-10(8-13-5-1)7-12-11-4-2-6-14-9-11/h3,11-12H,1-2,4-9H2
InChIKeyIVUPDKXJROZUEU-UHFFFAOYSA-N
XLogP1.10
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
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

4-methyl-2-(4-methyl-3,6-dihydro-2H-pyran-6-yl)-1,2,3,6-tetrahydropyridine
CID 155432635
(2S,3S)-N,4-diethyl-2-methyl-3,6-dihydro-2H-pyran-3-amine;ethane
CID 177009350
N-Cyclohexyl-4-methyl-3,6-dihydro-2H-pyran-3-amine
CID 13530832
3-[2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]morpholine
CID 113581645
4-(Oxan-4-yloxymethyl)-1,2,3,6-tetrahydropyridine
CID 114404584
3-[[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]morpholine
CID 114410947
N-(3,6-dihydro-2H-pyran-5-ylmethyl)-1-methoxypropan-2-amine
CID 115741726
N-(3,6-dihydro-2H-pyran-5-ylmethyl)-1-(oxan-2-yl)methanamine
CID 115741911
2-cyclopentyloxy-N-(3,6-dihydro-2H-pyran-5-ylmethyl)ethanamine
CID 115741929
2-butoxy-N-(3,6-dihydro-2H-pyran-5-ylmethyl)ethanamine
CID 115741933
N-(3,6-dihydro-2H-pyran-5-ylmethyl)-1-(2-methylpropoxy)propan-2-amine
CID 115742008
N-(3,6-dihydro-2H-pyran-5-ylmethyl)-1-methoxyhexan-2-amine
CID 115742119

Frequently Asked Questions

What is the IUPAC name of N-(3,6-dihydro-2H-pyran-5-ylmethyl)oxan-3-amine?
The IUPAC name of N-(3,6-dihydro-2H-pyran-5-ylmethyl)oxan-3-amine (CID 115742018) is N-(3,6-dihydro-2H-pyran-5-ylmethyl)oxan-3-amine.
What is the SMILES notation for N-(3,6-dihydro-2H-pyran-5-ylmethyl)oxan-3-amine?
The canonical SMILES for N-(3,6-dihydro-2H-pyran-5-ylmethyl)oxan-3-amine is C1=C(CNC2CCCOC2)COCC1.
What is the InChIKey of N-(3,6-dihydro-2H-pyran-5-ylmethyl)oxan-3-amine?
The InChIKey is IVUPDKXJROZUEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO2/c1-3-10(8-13-5-1)7-12-11-4-2-6-14-9-11/h3,11-12H,1-2,4-9H2.
What are the key properties of N-(3,6-dihydro-2H-pyran-5-ylmethyl)oxan-3-amine?
N-(3,6-dihydro-2H-pyran-5-ylmethyl)oxan-3-amine has a molecular weight of 197.28 g/mol, XLogP of 1.10, 3 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)oxan-3-amine is sourced from PubChem (CID 115742018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).