[4-[(Z)-2-ethyl-3-methylpent-1-enyl]-5-methyl-3,6-dihydro-2H-pyran-6-yl]methanamine

C15H27NO — CID 129016189

IUPAC[4-[(Z)-2-ethyl-3-methylpent-1-enyl]-5-methyl-3,6-dihydro-2H-pyran-6-yl]methanamine
SMILESCC/C(=C/C1=C(C)C(CN)OCC1)C(C)CC
InChIInChI=1S/C15H27NO/c1-5-11(3)13(6-2)9-14-7-8-17-15(10-16)12(14)4/h9,11,15H,5-8,10,16H2,1-4H3/b13-9-
InChIKeyGBUAICOSMFUIPY-LCYFTJDESA-N
MW237.39 g/mol
LogP3.43
Rot. Bonds5

About [4-[(Z)-2-ethyl-3-methylpent-1-enyl]-5-methyl-3,6-dihydro-2H-pyran-6-yl]methanamine

[4-[(Z)-2-ethyl-3-methylpent-1-enyl]-5-methyl-3,6-dihydro-2H-pyran-6-yl]methanamine (PubChem CID 129016189) has the molecular formula C15H27NO and a molecular weight of 237.39 g/mol. Its IUPAC name is [4-[(Z)-2-ethyl-3-methylpent-1-enyl]-5-methyl-3,6-dihydro-2H-pyran-6-yl]methanamine.

Molecular Properties

Compound Name[4-[(Z)-2-ethyl-3-methylpent-1-enyl]-5-methyl-3,6-dihydro-2H-pyran-6-yl]methanamine
PubChem CID129016189
Molecular FormulaC15H27NO
Molecular Weight237.39 g/mol
Exact Mass237.21
IUPAC Name[4-[(Z)-2-ethyl-3-methylpent-1-enyl]-5-methyl-3,6-dihydro-2H-pyran-6-yl]methanamine
SMILESCC/C(=C/C1=C(C)C(CN)OCC1)C(C)CC
InChIInChI=1S/C15H27NO/c1-5-11(3)13(6-2)9-14-7-8-17-15(10-16)12(14)4/h9,11,15H,5-8,10,16H2,1-4H3/b13-9-
InChIKeyGBUAICOSMFUIPY-LCYFTJDESA-N
XLogP3.43
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.39
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [4-[(Z)-2-ethyl-3-methylpent-1-enyl]-5-methyl-3,6-dihydro-2H-pyran-6-yl]methanamine?
The IUPAC name of [4-[(Z)-2-ethyl-3-methylpent-1-enyl]-5-methyl-3,6-dihydro-2H-pyran-6-yl]methanamine (CID 129016189) is [4-[(Z)-2-ethyl-3-methylpent-1-enyl]-5-methyl-3,6-dihydro-2H-pyran-6-yl]methanamine.
What is the SMILES notation for [4-[(Z)-2-ethyl-3-methylpent-1-enyl]-5-methyl-3,6-dihydro-2H-pyran-6-yl]methanamine?
The canonical SMILES for [4-[(Z)-2-ethyl-3-methylpent-1-enyl]-5-methyl-3,6-dihydro-2H-pyran-6-yl]methanamine is CC/C(=C/C1=C(C)C(CN)OCC1)C(C)CC.
What is the InChIKey of [4-[(Z)-2-ethyl-3-methylpent-1-enyl]-5-methyl-3,6-dihydro-2H-pyran-6-yl]methanamine?
The InChIKey is GBUAICOSMFUIPY-LCYFTJDESA-N. The full InChI is InChI=1S/C15H27NO/c1-5-11(3)13(6-2)9-14-7-8-17-15(10-16)12(14)4/h9,11,15H,5-8,10,16H2,1-4H3/b13-9-.
What are the key properties of [4-[(Z)-2-ethyl-3-methylpent-1-enyl]-5-methyl-3,6-dihydro-2H-pyran-6-yl]methanamine?
[4-[(Z)-2-ethyl-3-methylpent-1-enyl]-5-methyl-3,6-dihydro-2H-pyran-6-yl]methanamine has a molecular weight of 237.39 g/mol, XLogP of 3.43, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(Z)-2-ethyl-3-methylpent-1-enyl]-5-methyl-3,6-dihydro-2H-pyran-6-yl]methanamine is sourced from PubChem (CID 129016189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).