(2,6-dimethyl-4H-pyran-3-yl)methanamine

C8H13NO — CID 140731358

IUPAC(2,6-dimethyl-4H-pyran-3-yl)methanamine
SMILESCC1=CCC(CN)=C(C)O1
InChIInChI=1S/C8H13NO/c1-6-3-4-8(5-9)7(2)10-6/h3H,4-5,9H2,1-2H3
InChIKeyBSJMCRNKQQLKRT-UHFFFAOYSA-N
MW139.20 g/mol
LogP1.54
Rot. Bonds1

About (2,6-dimethyl-4H-pyran-3-yl)methanamine

(2,6-dimethyl-4H-pyran-3-yl)methanamine (PubChem CID 140731358) has the molecular formula C8H13NO and a molecular weight of 139.20 g/mol. Its IUPAC name is (2,6-dimethyl-4H-pyran-3-yl)methanamine.

Molecular Properties

Compound Name(2,6-dimethyl-4H-pyran-3-yl)methanamine
PubChem CID140731358
Molecular FormulaC8H13NO
Molecular Weight139.20 g/mol
Exact Mass139.10
IUPAC Name(2,6-dimethyl-4H-pyran-3-yl)methanamine
SMILESCC1=CCC(CN)=C(C)O1
InChIInChI=1S/C8H13NO/c1-6-3-4-8(5-9)7(2)10-6/h3H,4-5,9H2,1-2H3
InChIKeyBSJMCRNKQQLKRT-UHFFFAOYSA-N
XLogP1.54
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-Methoxycyclohexa-1,4-dien-1-yl)ethanamine
CID 11435055
(5-Methoxycyclohexa-1,5-dien-1-yl)methanamine
CID 18407338
1-[4-[(2-Methylpropan-2-yl)oxy]cyclohexa-1,4-dien-1-yl]ethanamine
CID 19918604
1-[(1S)-1-aminoethyl]-4-methoxy-1,4-cyclohexadiene
CID 54552279
(Z)-2-ethyl-3-prop-1-en-2-yloxybut-2-en-1-amine
CID 135258420
(5-Ethoxycyclohexa-1,5-dien-1-yl)methanamine
CID 154991737
4-[(Z)-but-2-en-2-yl]oxy-5-methylhex-4-en-1-amine
CID 177319646
3-methyl-2-[(Z)-pent-2-en-2-yl]oxybut-2-en-1-amine
CID 177319822
1-(4-Methoxycyclohexa-1,4-dien-1-yl)ethanamine
CID 19918638
1-(4-methoxycyclohexa-1,4-dien-1-yl)-N-methylmethanamine
CID 24772962
(5-Methoxycyclohexa-1,4-dien-1-yl)methanamine
CID 55288690
(4-Methoxycyclohexa-1,4-dien-1-yl)methanamine
CID 55290557

Frequently Asked Questions

What is the IUPAC name of (2,6-dimethyl-4H-pyran-3-yl)methanamine?
The IUPAC name of (2,6-dimethyl-4H-pyran-3-yl)methanamine (CID 140731358) is (2,6-dimethyl-4H-pyran-3-yl)methanamine.
What is the SMILES notation for (2,6-dimethyl-4H-pyran-3-yl)methanamine?
The canonical SMILES for (2,6-dimethyl-4H-pyran-3-yl)methanamine is CC1=CCC(CN)=C(C)O1.
What is the InChIKey of (2,6-dimethyl-4H-pyran-3-yl)methanamine?
The InChIKey is BSJMCRNKQQLKRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO/c1-6-3-4-8(5-9)7(2)10-6/h3H,4-5,9H2,1-2H3.
What are the key properties of (2,6-dimethyl-4H-pyran-3-yl)methanamine?
(2,6-dimethyl-4H-pyran-3-yl)methanamine has a molecular weight of 139.20 g/mol, XLogP of 1.54, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-dimethyl-4H-pyran-3-yl)methanamine is sourced from PubChem (CID 140731358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).