3,4-dihydro-1H-isochromene;ethane;methanamine

C14H27NO — CID 142279347

IUPAC3,4-dihydro-1H-isochromene;ethane;methanamine
SMILESCC.CC.CN.c1ccc2c(c1)CCOC2
InChIInChI=1S/C9H10O.2C2H6.CH5N/c1-2-4-9-7-10-6-5-8(9)3-1;3*1-2/h1-4H,5-7H2;2*1-2H3;2H2,1H3
InChIKeyGLEOCATWTFTKSP-UHFFFAOYSA-N
MW225.38 g/mol
LogP3.39
Rot. Bonds

About 3,4-dihydro-1H-isochromene;ethane;methanamine

3,4-dihydro-1H-isochromene;ethane;methanamine (PubChem CID 142279347) has the molecular formula C14H27NO and a molecular weight of 225.38 g/mol. Its IUPAC name is 3,4-dihydro-1H-isochromene;ethane;methanamine.

Molecular Properties

Compound Name3,4-dihydro-1H-isochromene;ethane;methanamine
PubChem CID142279347
Molecular FormulaC14H27NO
Molecular Weight225.38 g/mol
Exact Mass225.21
IUPAC Name3,4-dihydro-1H-isochromene;ethane;methanamine
SMILESCC.CC.CN.c1ccc2c(c1)CCOC2
InChIInChI=1S/C9H10O.2C2H6.CH5N/c1-2-4-9-7-10-6-5-8(9)3-1;3*1-2/h1-4H,5-7H2;2*1-2H3;2H2,1H3
InChIKeyGLEOCATWTFTKSP-UHFFFAOYSA-N
XLogP3.39
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-1H-isochromene;ethane;methanamine?
The IUPAC name of 3,4-dihydro-1H-isochromene;ethane;methanamine (CID 142279347) is 3,4-dihydro-1H-isochromene;ethane;methanamine.
What is the SMILES notation for 3,4-dihydro-1H-isochromene;ethane;methanamine?
The canonical SMILES for 3,4-dihydro-1H-isochromene;ethane;methanamine is CC.CC.CN.c1ccc2c(c1)CCOC2.
What is the InChIKey of 3,4-dihydro-1H-isochromene;ethane;methanamine?
The InChIKey is GLEOCATWTFTKSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10O.2C2H6.CH5N/c1-2-4-9-7-10-6-5-8(9)3-1;3*1-2/h1-4H,5-7H2;2*1-2H3;2H2,1H3.
What are the key properties of 3,4-dihydro-1H-isochromene;ethane;methanamine?
3,4-dihydro-1H-isochromene;ethane;methanamine has a molecular weight of 225.38 g/mol, XLogP of 3.39, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydro-1H-isochromene;ethane;methanamine is sourced from PubChem (CID 142279347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).