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

C11H21NO2 — CID 115742144

IUPACN-(3,6-dihydro-2H-pyran-5-ylmethyl)-1-methoxybutan-2-amine
SMILESCCC(COC)NCC1=CCCOC1
InChIInChI=1S/C11H21NO2/c1-3-11(9-13-2)12-7-10-5-4-6-14-8-10/h5,11-12H,3-4,6-9H2,1-2H3
InChIKeyVRTLTCSGOJDXDE-UHFFFAOYSA-N
MW199.29 g/mol
LogP1.35
Rot. Bonds6

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

N-(3,6-dihydro-2H-pyran-5-ylmethyl)-1-methoxybutan-2-amine (PubChem CID 115742144) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is N-(3,6-dihydro-2H-pyran-5-ylmethyl)-1-methoxybutan-2-amine.

Molecular Properties

Compound NameN-(3,6-dihydro-2H-pyran-5-ylmethyl)-1-methoxybutan-2-amine
PubChem CID115742144
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC NameN-(3,6-dihydro-2H-pyran-5-ylmethyl)-1-methoxybutan-2-amine
SMILESCCC(COC)NCC1=CCCOC1
InChIInChI=1S/C11H21NO2/c1-3-11(9-13-2)12-7-10-5-4-6-14-8-10/h5,11-12H,3-4,6-9H2,1-2H3
InChIKeyVRTLTCSGOJDXDE-UHFFFAOYSA-N
XLogP1.35
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 51.35
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-(3,6-dihydro-2H-pyran-5-ylmethyl)-2-(2,2,2-trifluoroethoxy)ethanamine
CID 115741802
(4S)-4-[(E)-3-butoxy-2-methylprop-1-enyl]-2,2-dimethyl-1,3-oxazolidine
CID 68201776
ethene;1-[(Z)-2-methylidenepent-3-enoxy]-N-propylbutan-2-amine;molecular hydrogen
CID 142079041
4-methyl-2-(4-methyl-3,6-dihydro-2H-pyran-6-yl)-1,2,3,6-tetrahydropyridine
CID 155432635
4,8-Dimethyl-2,3,4,5,5a,9a-hexahydro-1,5-benzoxazepine
CID 156334402
(3R)-3-[(E)-but-2-en-2-yl]morpholine
CID 167197416
N-(3-methoxypropyl)-3,6-dihydro-2H-pyran-3-amine
CID 170083666
(2S,3S)-N,4-diethyl-2-methyl-3,6-dihydro-2H-pyran-3-amine;ethane
CID 177009350
(3S)-3-[(3E)-5-methoxyhexa-1,3,5-trien-3-yl]morpholine
CID 178095201
N-Cyclohexyl-4-methyl-3,6-dihydro-2H-pyran-3-amine
CID 13530832
1-ethoxy-4-methyl-N-propylpent-3-en-2-amine
CID 79179708
4-methyl-1-propoxy-N-propylpent-3-en-2-amine
CID 79190633

Frequently Asked Questions

What is the IUPAC name of N-(3,6-dihydro-2H-pyran-5-ylmethyl)-1-methoxybutan-2-amine?
The IUPAC name of N-(3,6-dihydro-2H-pyran-5-ylmethyl)-1-methoxybutan-2-amine (CID 115742144) is N-(3,6-dihydro-2H-pyran-5-ylmethyl)-1-methoxybutan-2-amine.
What is the SMILES notation for N-(3,6-dihydro-2H-pyran-5-ylmethyl)-1-methoxybutan-2-amine?
The canonical SMILES for N-(3,6-dihydro-2H-pyran-5-ylmethyl)-1-methoxybutan-2-amine is CCC(COC)NCC1=CCCOC1.
What is the InChIKey of N-(3,6-dihydro-2H-pyran-5-ylmethyl)-1-methoxybutan-2-amine?
The InChIKey is VRTLTCSGOJDXDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2/c1-3-11(9-13-2)12-7-10-5-4-6-14-8-10/h5,11-12H,3-4,6-9H2,1-2H3.
What are the key properties of N-(3,6-dihydro-2H-pyran-5-ylmethyl)-1-methoxybutan-2-amine?
N-(3,6-dihydro-2H-pyran-5-ylmethyl)-1-methoxybutan-2-amine has a molecular weight of 199.29 g/mol, XLogP of 1.35, 6 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-methoxybutan-2-amine is sourced from PubChem (CID 115742144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).