2-(2,3,4,5-tetrahydrocyclohepta[b]pyran-7-yl)ethanamine

C12H17NO — CID 143110129

IUPAC2-(2,3,4,5-tetrahydrocyclohepta[b]pyran-7-yl)ethanamine
SMILESNCCC1=CCC2=C(C=C1)OCCC2
InChIInChI=1S/C12H17NO/c13-8-7-10-3-5-11-2-1-9-14-12(11)6-4-10/h3-4,6H,1-2,5,7-9,13H2
InChIKeyKVUOBOUOQIGGGI-UHFFFAOYSA-N
MW191.27 g/mol
LogP2.29
Rot. Bonds2

About 2-(2,3,4,5-tetrahydrocyclohepta[b]pyran-7-yl)ethanamine

2-(2,3,4,5-tetrahydrocyclohepta[b]pyran-7-yl)ethanamine (PubChem CID 143110129) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is 2-(2,3,4,5-tetrahydrocyclohepta[b]pyran-7-yl)ethanamine.

Molecular Properties

Compound Name2-(2,3,4,5-tetrahydrocyclohepta[b]pyran-7-yl)ethanamine
PubChem CID143110129
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC Name2-(2,3,4,5-tetrahydrocyclohepta[b]pyran-7-yl)ethanamine
SMILESNCCC1=CCC2=C(C=C1)OCCC2
InChIInChI=1S/C12H17NO/c13-8-7-10-3-5-11-2-1-9-14-12(11)6-4-10/h3-4,6H,1-2,5,7-9,13H2
InChIKeyKVUOBOUOQIGGGI-UHFFFAOYSA-N
XLogP2.29
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2,3,4,5-tetrahydrocyclohepta[b]pyran-7-yl)ethanamine?
The IUPAC name of 2-(2,3,4,5-tetrahydrocyclohepta[b]pyran-7-yl)ethanamine (CID 143110129) is 2-(2,3,4,5-tetrahydrocyclohepta[b]pyran-7-yl)ethanamine.
What is the SMILES notation for 2-(2,3,4,5-tetrahydrocyclohepta[b]pyran-7-yl)ethanamine?
The canonical SMILES for 2-(2,3,4,5-tetrahydrocyclohepta[b]pyran-7-yl)ethanamine is NCCC1=CCC2=C(C=C1)OCCC2.
What is the InChIKey of 2-(2,3,4,5-tetrahydrocyclohepta[b]pyran-7-yl)ethanamine?
The InChIKey is KVUOBOUOQIGGGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO/c13-8-7-10-3-5-11-2-1-9-14-12(11)6-4-10/h3-4,6H,1-2,5,7-9,13H2.
What are the key properties of 2-(2,3,4,5-tetrahydrocyclohepta[b]pyran-7-yl)ethanamine?
2-(2,3,4,5-tetrahydrocyclohepta[b]pyran-7-yl)ethanamine has a molecular weight of 191.27 g/mol, XLogP of 2.29, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3,4,5-tetrahydrocyclohepta[b]pyran-7-yl)ethanamine is sourced from PubChem (CID 143110129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).