1,3,4,5,6,7,8,9-octahydroindeno[2,1-c]pyran-1-ylmethanamine

C13H19NO — CID 142603364

IUPAC1,3,4,5,6,7,8,9-octahydroindeno[2,1-c]pyran-1-ylmethanamine
SMILESNCC1OCCC2=C1CC1=C2CCCC1
InChIInChI=1S/C13H19NO/c14-8-13-12-7-9-3-1-2-4-10(9)11(12)5-6-15-13/h13H,1-8,14H2
InChIKeyVKSWGYFTZWBNGK-UHFFFAOYSA-N
MW205.30 g/mol
LogP2.30
Rot. Bonds1

About 1,3,4,5,6,7,8,9-octahydroindeno[2,1-c]pyran-1-ylmethanamine

1,3,4,5,6,7,8,9-octahydroindeno[2,1-c]pyran-1-ylmethanamine (PubChem CID 142603364) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is 1,3,4,5,6,7,8,9-octahydroindeno[2,1-c]pyran-1-ylmethanamine.

Molecular Properties

Compound Name1,3,4,5,6,7,8,9-octahydroindeno[2,1-c]pyran-1-ylmethanamine
PubChem CID142603364
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name1,3,4,5,6,7,8,9-octahydroindeno[2,1-c]pyran-1-ylmethanamine
SMILESNCC1OCCC2=C1CC1=C2CCCC1
InChIInChI=1S/C13H19NO/c14-8-13-12-7-9-3-1-2-4-10(9)11(12)5-6-15-13/h13H,1-8,14H2
InChIKeyVKSWGYFTZWBNGK-UHFFFAOYSA-N
XLogP2.30
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1,3,4,6-Tetrahydrocyclopenta[c]pyran-1-ylmethanamine
CID 89532757
(5,7-Dimethyl-1,3,4,6-tetrahydrocyclopenta[c]pyran-1-yl)methanamine
CID 89532758
[(4Z)-4-hexan-2-ylidene-3-propan-2-ylideneoxan-2-yl]methanamine
CID 129015888
[4-(2-butan-2-ylcyclopenten-1-yl)-5-methyl-3,6-dihydro-2H-pyran-6-yl]methanamine
CID 129016004
[(2R,6S)-6-[(2E)-5-methylhexa-2,4-dien-2-yl]oxan-2-yl]methanamine
CID 134408152
2-(2,3,4,5-tetrahydro-1H-inden-5-yloxy)ethanamine
CID 141057839
(6-methylidene-3,4-dihydro-1H-cyclopenta[c]pyran-1-yl)methanamine
CID 163415695

Frequently Asked Questions

What is the IUPAC name of 1,3,4,5,6,7,8,9-octahydroindeno[2,1-c]pyran-1-ylmethanamine?
The IUPAC name of 1,3,4,5,6,7,8,9-octahydroindeno[2,1-c]pyran-1-ylmethanamine (CID 142603364) is 1,3,4,5,6,7,8,9-octahydroindeno[2,1-c]pyran-1-ylmethanamine.
What is the SMILES notation for 1,3,4,5,6,7,8,9-octahydroindeno[2,1-c]pyran-1-ylmethanamine?
The canonical SMILES for 1,3,4,5,6,7,8,9-octahydroindeno[2,1-c]pyran-1-ylmethanamine is NCC1OCCC2=C1CC1=C2CCCC1.
What is the InChIKey of 1,3,4,5,6,7,8,9-octahydroindeno[2,1-c]pyran-1-ylmethanamine?
The InChIKey is VKSWGYFTZWBNGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO/c14-8-13-12-7-9-3-1-2-4-10(9)11(12)5-6-15-13/h13H,1-8,14H2.
What are the key properties of 1,3,4,5,6,7,8,9-octahydroindeno[2,1-c]pyran-1-ylmethanamine?
1,3,4,5,6,7,8,9-octahydroindeno[2,1-c]pyran-1-ylmethanamine has a molecular weight of 205.30 g/mol, XLogP of 2.30, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,4,5,6,7,8,9-octahydroindeno[2,1-c]pyran-1-ylmethanamine is sourced from PubChem (CID 142603364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).