1-(3,4-dihydro-2H-pyran-6-yl)-2-methoxybutan-1-amine

C10H19NO2 — CID 102648055

IUPAC1-(3,4-dihydro-2H-pyran-6-yl)-2-methoxybutan-1-amine
SMILESCCC(OC)C(N)C1=CCCCO1
InChIInChI=1S/C10H19NO2/c1-3-8(12-2)10(11)9-6-4-5-7-13-9/h6,8,10H,3-5,7,11H2,1-2H3
InChIKeyQMWRJVHLXRKVGY-UHFFFAOYSA-N
MW185.27 g/mol
LogP1.43
Rot. Bonds4

About 1-(3,4-dihydro-2H-pyran-6-yl)-2-methoxybutan-1-amine

1-(3,4-dihydro-2H-pyran-6-yl)-2-methoxybutan-1-amine (PubChem CID 102648055) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-pyran-6-yl)-2-methoxybutan-1-amine.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-pyran-6-yl)-2-methoxybutan-1-amine
PubChem CID102648055
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Name1-(3,4-dihydro-2H-pyran-6-yl)-2-methoxybutan-1-amine
SMILESCCC(OC)C(N)C1=CCCCO1
InChIInChI=1S/C10H19NO2/c1-3-8(12-2)10(11)9-6-4-5-7-13-9/h6,8,10H,3-5,7,11H2,1-2H3
InChIKeyQMWRJVHLXRKVGY-UHFFFAOYSA-N
XLogP1.43
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4,4,4-Trifluoro-1-(2-methyl-2,3-dihydrofuran-5-yl)butan-1-amine
CID 154550614
(3R)-6-(aminomethyl)-2-methyl-3,4-dihydro-2H-pyran-3-amine
CID 60076819
(1R)-1-(2-methyl-2,3-dihydrofuran-5-yl)propan-1-amine
CID 89017389
(1R)-1-(5-methyl-2,3-dihydrofuran-2-yl)propan-1-amine
CID 89087886
6-ethyl-2-methyl-3,4-dihydro-2H-pyran-3-amine
CID 90937378
6-(1-aminoethyl)-2-methyl-3,4-dihydro-2H-pyran-3-amine
CID 123788725
(Z,3R)-4-ethoxyhex-4-en-3-amine
CID 142810338
(3R)-6-(aminomethyl)-3,4-dihydro-2H-pyran-3-amine;methoxymethane
CID 144110272
(2R)-6-(aminomethyl)-2-methyl-3,4-dihydro-2H-pyran-3-amine
CID 163412465
(2S,3S)-3-methoxy-4-(4-methoxycyclohexa-1,4-dien-1-yl)butan-2-amine
CID 101406327
1-(3,4-dihydro-2H-pyran-6-yl)-3-methylbutan-1-amine
CID 102647130
1-(3,4-dihydro-2H-pyran-6-yl)propan-1-amine
CID 102647138

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-pyran-6-yl)-2-methoxybutan-1-amine?
The IUPAC name of 1-(3,4-dihydro-2H-pyran-6-yl)-2-methoxybutan-1-amine (CID 102648055) is 1-(3,4-dihydro-2H-pyran-6-yl)-2-methoxybutan-1-amine.
What is the SMILES notation for 1-(3,4-dihydro-2H-pyran-6-yl)-2-methoxybutan-1-amine?
The canonical SMILES for 1-(3,4-dihydro-2H-pyran-6-yl)-2-methoxybutan-1-amine is CCC(OC)C(N)C1=CCCCO1.
What is the InChIKey of 1-(3,4-dihydro-2H-pyran-6-yl)-2-methoxybutan-1-amine?
The InChIKey is QMWRJVHLXRKVGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2/c1-3-8(12-2)10(11)9-6-4-5-7-13-9/h6,8,10H,3-5,7,11H2,1-2H3.
What are the key properties of 1-(3,4-dihydro-2H-pyran-6-yl)-2-methoxybutan-1-amine?
1-(3,4-dihydro-2H-pyran-6-yl)-2-methoxybutan-1-amine has a molecular weight of 185.27 g/mol, XLogP of 1.43, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dihydro-2H-pyran-6-yl)-2-methoxybutan-1-amine is sourced from PubChem (CID 102648055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).