3,4-dihydro-1H-isochromene;ethane;N-methylpropan-1-amine

C15H27NO — CID 142279279

IUPAC3,4-dihydro-1H-isochromene;ethane;N-methylpropan-1-amine
SMILESCC.CCCNC.c1ccc2c(c1)CCOC2
InChIInChI=1S/C9H10O.C4H11N.C2H6/c1-2-4-9-7-10-6-5-8(9)3-1;1-3-4-5-2;1-2/h1-4H,5-7H2;5H,3-4H2,1-2H3;1-2H3
InChIKeyGECGCZJXKMHYMY-UHFFFAOYSA-N
MW237.39 g/mol
LogP3.40
Rot. Bonds2

About 3,4-dihydro-1H-isochromene;ethane;N-methylpropan-1-amine

3,4-dihydro-1H-isochromene;ethane;N-methylpropan-1-amine (PubChem CID 142279279) has the molecular formula C15H27NO and a molecular weight of 237.39 g/mol. Its IUPAC name is 3,4-dihydro-1H-isochromene;ethane;N-methylpropan-1-amine.

Molecular Properties

Compound Name3,4-dihydro-1H-isochromene;ethane;N-methylpropan-1-amine
PubChem CID142279279
Molecular FormulaC15H27NO
Molecular Weight237.39 g/mol
Exact Mass237.21
IUPAC Name3,4-dihydro-1H-isochromene;ethane;N-methylpropan-1-amine
SMILESCC.CCCNC.c1ccc2c(c1)CCOC2
InChIInChI=1S/C9H10O.C4H11N.C2H6/c1-2-4-9-7-10-6-5-8(9)3-1;1-3-4-5-2;1-2/h1-4H,5-7H2;5H,3-4H2,1-2H3;1-2H3
InChIKeyGECGCZJXKMHYMY-UHFFFAOYSA-N
XLogP3.40
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.39
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3,4-dihydro-1H-isochromene;ethane;methanamine
CID 142279347
2,3-dihydro-1H-indene;3,4-dihydro-1H-isochromene;1,2,3,4-tetrahydronaphthalene
CID 169145384
3,6,9,18,21,24-hexaoxatricyclo[24.4.0.011,16]triaconta-1(30),11,13,15,26,28-hexaene
CID 13012462
2-(3,4-dihydro-1H-isochromen-1-yl)-N-methylethanamine
CID 14141276
ethane;6-methyl-3,4-dihydro-1H-isochromene
CID 143262854
5-methyl-1,3,4,6-tetrahydro-2,5-benzoxazocine
CID 15179871
8-methyl-3,4-dihydro-1H-isochromene;N-methylmethanamine
CID 142279468
2,3-dihydro-1-benzofuran;ethane;propane
CID 91022099
1-(propylamino)-2,3-dihydroindene-1-carboxamide
CID 60796921
8-fluoro-3,4-dihydro-1H-isochromene;N-methylmethanamine
CID 142279514
N'-(3,4-dihydro-1H-isochromen-4-yl)-N,N'-dimethylethane-1,2-diamine
CID 107149958
4-(propylamino)-1,3-dihydroisochromene-4-carboxylic acid
CID 107149818

Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-1H-isochromene;ethane;N-methylpropan-1-amine?
The IUPAC name of 3,4-dihydro-1H-isochromene;ethane;N-methylpropan-1-amine (CID 142279279) is 3,4-dihydro-1H-isochromene;ethane;N-methylpropan-1-amine.
What is the SMILES notation for 3,4-dihydro-1H-isochromene;ethane;N-methylpropan-1-amine?
The canonical SMILES for 3,4-dihydro-1H-isochromene;ethane;N-methylpropan-1-amine is CC.CCCNC.c1ccc2c(c1)CCOC2.
What is the InChIKey of 3,4-dihydro-1H-isochromene;ethane;N-methylpropan-1-amine?
The InChIKey is GECGCZJXKMHYMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10O.C4H11N.C2H6/c1-2-4-9-7-10-6-5-8(9)3-1;1-3-4-5-2;1-2/h1-4H,5-7H2;5H,3-4H2,1-2H3;1-2H3.
What are the key properties of 3,4-dihydro-1H-isochromene;ethane;N-methylpropan-1-amine?
3,4-dihydro-1H-isochromene;ethane;N-methylpropan-1-amine has a molecular weight of 237.39 g/mol, XLogP of 3.40, 2 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;N-methylpropan-1-amine is sourced from PubChem (CID 142279279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).