[4-(2-butan-2-ylcyclopenten-1-yl)-5-methyl-3,6-dihydro-2H-pyran-6-yl]methanamine

C16H27NO — CID 129016004

IUPAC[4-(2-butan-2-ylcyclopenten-1-yl)-5-methyl-3,6-dihydro-2H-pyran-6-yl]methanamine
SMILESCCC(C)C1=C(C2=C(C)C(CN)OCC2)CCC1
InChIInChI=1S/C16H27NO/c1-4-11(2)13-6-5-7-15(13)14-8-9-18-16(10-17)12(14)3/h11,16H,4-10,17H2,1-3H3
InChIKeyKHQFYWQSSJBEEL-UHFFFAOYSA-N
MW249.40 g/mol
LogP3.58
Rot. Bonds4

About [4-(2-butan-2-ylcyclopenten-1-yl)-5-methyl-3,6-dihydro-2H-pyran-6-yl]methanamine

[4-(2-butan-2-ylcyclopenten-1-yl)-5-methyl-3,6-dihydro-2H-pyran-6-yl]methanamine (PubChem CID 129016004) has the molecular formula C16H27NO and a molecular weight of 249.40 g/mol. Its IUPAC name is [4-(2-butan-2-ylcyclopenten-1-yl)-5-methyl-3,6-dihydro-2H-pyran-6-yl]methanamine.

Molecular Properties

Compound Name[4-(2-butan-2-ylcyclopenten-1-yl)-5-methyl-3,6-dihydro-2H-pyran-6-yl]methanamine
PubChem CID129016004
Molecular FormulaC16H27NO
Molecular Weight249.40 g/mol
Exact Mass249.21
IUPAC Name[4-(2-butan-2-ylcyclopenten-1-yl)-5-methyl-3,6-dihydro-2H-pyran-6-yl]methanamine
SMILESCCC(C)C1=C(C2=C(C)C(CN)OCC2)CCC1
InChIInChI=1S/C16H27NO/c1-4-11(2)13-6-5-7-15(13)14-8-9-18-16(10-17)12(14)3/h11,16H,4-10,17H2,1-3H3
InChIKeyKHQFYWQSSJBEEL-UHFFFAOYSA-N
XLogP3.58
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [4-(2-butan-2-ylcyclopenten-1-yl)-5-methyl-3,6-dihydro-2H-pyran-6-yl]methanamine?
The IUPAC name of [4-(2-butan-2-ylcyclopenten-1-yl)-5-methyl-3,6-dihydro-2H-pyran-6-yl]methanamine (CID 129016004) is [4-(2-butan-2-ylcyclopenten-1-yl)-5-methyl-3,6-dihydro-2H-pyran-6-yl]methanamine.
What is the SMILES notation for [4-(2-butan-2-ylcyclopenten-1-yl)-5-methyl-3,6-dihydro-2H-pyran-6-yl]methanamine?
The canonical SMILES for [4-(2-butan-2-ylcyclopenten-1-yl)-5-methyl-3,6-dihydro-2H-pyran-6-yl]methanamine is CCC(C)C1=C(C2=C(C)C(CN)OCC2)CCC1.
What is the InChIKey of [4-(2-butan-2-ylcyclopenten-1-yl)-5-methyl-3,6-dihydro-2H-pyran-6-yl]methanamine?
The InChIKey is KHQFYWQSSJBEEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO/c1-4-11(2)13-6-5-7-15(13)14-8-9-18-16(10-17)12(14)3/h11,16H,4-10,17H2,1-3H3.
What are the key properties of [4-(2-butan-2-ylcyclopenten-1-yl)-5-methyl-3,6-dihydro-2H-pyran-6-yl]methanamine?
[4-(2-butan-2-ylcyclopenten-1-yl)-5-methyl-3,6-dihydro-2H-pyran-6-yl]methanamine has a molecular weight of 249.40 g/mol, XLogP of 3.58, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-butan-2-ylcyclopenten-1-yl)-5-methyl-3,6-dihydro-2H-pyran-6-yl]methanamine is sourced from PubChem (CID 129016004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).