ethane;7-methyl-3,4-dihydro-2H-cyclohepta[b]pyran-7-amine

C13H21NO — CID 156794166

IUPACethane;7-methyl-3,4-dihydro-2H-cyclohepta[b]pyran-7-amine
SMILESCC.CC1(N)C=CC2=C(C=C1)OCCC2
InChIInChI=1S/C11H15NO.C2H6/c1-11(12)6-4-9-3-2-8-13-10(9)5-7-11;1-2/h4-7H,2-3,8,12H2,1H3;1-2H3
InChIKeyCXEOKIVTUBFVMJ-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.92
Rot. Bonds

About ethane;7-methyl-3,4-dihydro-2H-cyclohepta[b]pyran-7-amine

ethane;7-methyl-3,4-dihydro-2H-cyclohepta[b]pyran-7-amine (PubChem CID 156794166) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is ethane;7-methyl-3,4-dihydro-2H-cyclohepta[b]pyran-7-amine.

Molecular Properties

Compound Nameethane;7-methyl-3,4-dihydro-2H-cyclohepta[b]pyran-7-amine
PubChem CID156794166
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Nameethane;7-methyl-3,4-dihydro-2H-cyclohepta[b]pyran-7-amine
SMILESCC.CC1(N)C=CC2=C(C=C1)OCCC2
InChIInChI=1S/C11H15NO.C2H6/c1-11(12)6-4-9-3-2-8-13-10(9)5-7-11;1-2/h4-7H,2-3,8,12H2,1H3;1-2H3
InChIKeyCXEOKIVTUBFVMJ-UHFFFAOYSA-N
XLogP2.92
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethane;7-methyl-3,4-dihydro-2H-cyclohepta[b]pyran-7-amine?
The IUPAC name of ethane;7-methyl-3,4-dihydro-2H-cyclohepta[b]pyran-7-amine (CID 156794166) is ethane;7-methyl-3,4-dihydro-2H-cyclohepta[b]pyran-7-amine.
What is the SMILES notation for ethane;7-methyl-3,4-dihydro-2H-cyclohepta[b]pyran-7-amine?
The canonical SMILES for ethane;7-methyl-3,4-dihydro-2H-cyclohepta[b]pyran-7-amine is CC.CC1(N)C=CC2=C(C=C1)OCCC2.
What is the InChIKey of ethane;7-methyl-3,4-dihydro-2H-cyclohepta[b]pyran-7-amine?
The InChIKey is CXEOKIVTUBFVMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO.C2H6/c1-11(12)6-4-9-3-2-8-13-10(9)5-7-11;1-2/h4-7H,2-3,8,12H2,1H3;1-2H3.
What are the key properties of ethane;7-methyl-3,4-dihydro-2H-cyclohepta[b]pyran-7-amine?
ethane;7-methyl-3,4-dihydro-2H-cyclohepta[b]pyran-7-amine has a molecular weight of 207.32 g/mol, XLogP of 2.92, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;7-methyl-3,4-dihydro-2H-cyclohepta[b]pyran-7-amine is sourced from PubChem (CID 156794166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).