5,6,7,8,9,10-hexahydrocycloocta[b]pyridin-3-ylmethanamine

C12H18N2 — CID 53274649

IUPAC5,6,7,8,9,10-hexahydrocycloocta[b]pyridin-3-ylmethanamine
SMILESNCc1cnc2c(c1)CCCCCC2
InChIInChI=1S/C12H18N2/c13-8-10-7-11-5-3-1-2-4-6-12(11)14-9-10/h7,9H,1-6,8,13H2
InChIKeyJYFDEYOKRLSNNT-UHFFFAOYSA-N
MW190.29 g/mol
LogP2.20
Rot. Bonds1

About 5,6,7,8,9,10-hexahydrocycloocta[b]pyridin-3-ylmethanamine

5,6,7,8,9,10-hexahydrocycloocta[b]pyridin-3-ylmethanamine (PubChem CID 53274649) has the molecular formula C12H18N2 and a molecular weight of 190.29 g/mol. Its IUPAC name is 5,6,7,8,9,10-hexahydrocycloocta[b]pyridin-3-ylmethanamine.

Molecular Properties

Compound Name5,6,7,8,9,10-hexahydrocycloocta[b]pyridin-3-ylmethanamine
PubChem CID53274649
Molecular FormulaC12H18N2
Molecular Weight190.29 g/mol
Exact Mass190.15
IUPAC Name5,6,7,8,9,10-hexahydrocycloocta[b]pyridin-3-ylmethanamine
SMILESNCc1cnc2c(c1)CCCCCC2
InChIInChI=1S/C12H18N2/c13-8-10-7-11-5-3-1-2-4-6-12(11)14-9-10/h7,9H,1-6,8,13H2
InChIKeyJYFDEYOKRLSNNT-UHFFFAOYSA-N
XLogP2.20
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5,6,7,8,9,10-hexahydrocycloocta[b]pyridin-3-ylmethanamine?
The IUPAC name of 5,6,7,8,9,10-hexahydrocycloocta[b]pyridin-3-ylmethanamine (CID 53274649) is 5,6,7,8,9,10-hexahydrocycloocta[b]pyridin-3-ylmethanamine.
What is the SMILES notation for 5,6,7,8,9,10-hexahydrocycloocta[b]pyridin-3-ylmethanamine?
The canonical SMILES for 5,6,7,8,9,10-hexahydrocycloocta[b]pyridin-3-ylmethanamine is NCc1cnc2c(c1)CCCCCC2.
What is the InChIKey of 5,6,7,8,9,10-hexahydrocycloocta[b]pyridin-3-ylmethanamine?
The InChIKey is JYFDEYOKRLSNNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2/c13-8-10-7-11-5-3-1-2-4-6-12(11)14-9-10/h7,9H,1-6,8,13H2.
What are the key properties of 5,6,7,8,9,10-hexahydrocycloocta[b]pyridin-3-ylmethanamine?
5,6,7,8,9,10-hexahydrocycloocta[b]pyridin-3-ylmethanamine has a molecular weight of 190.29 g/mol, XLogP of 2.20, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6,7,8,9,10-hexahydrocycloocta[b]pyridin-3-ylmethanamine is sourced from PubChem (CID 53274649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).