1,2,3-trimethyl-3,4,5,6-tetrahydro-2H-azocine

C10H19N — CID 76744098

IUPAC1,2,3-trimethyl-3,4,5,6-tetrahydro-2H-azocine
SMILESCC1CCCC=CN(C)C1C
InChIInChI=1S/C10H19N/c1-9-7-5-4-6-8-11(3)10(9)2/h6,8-10H,4-5,7H2,1-3H3
InChIKeyGGQOJLZYJQPZLB-UHFFFAOYSA-N
MW153.27 g/mol
LogP2.64
Rot. Bonds

About 1,2,3-trimethyl-3,4,5,6-tetrahydro-2H-azocine

1,2,3-trimethyl-3,4,5,6-tetrahydro-2H-azocine (PubChem CID 76744098) has the molecular formula C10H19N and a molecular weight of 153.27 g/mol. Its IUPAC name is 1,2,3-trimethyl-3,4,5,6-tetrahydro-2H-azocine.

Molecular Properties

Compound Name1,2,3-trimethyl-3,4,5,6-tetrahydro-2H-azocine
PubChem CID76744098
Molecular FormulaC10H19N
Molecular Weight153.27 g/mol
Exact Mass153.15
IUPAC Name1,2,3-trimethyl-3,4,5,6-tetrahydro-2H-azocine
SMILESCC1CCCC=CN(C)C1C
InChIInChI=1S/C10H19N/c1-9-7-5-4-6-8-11(3)10(9)2/h6,8-10H,4-5,7H2,1-3H3
InChIKeyGGQOJLZYJQPZLB-UHFFFAOYSA-N
XLogP2.64
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.27
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,2,3-trimethyl-3,4,5,6-tetrahydro-2H-azocine?
The IUPAC name of 1,2,3-trimethyl-3,4,5,6-tetrahydro-2H-azocine (CID 76744098) is 1,2,3-trimethyl-3,4,5,6-tetrahydro-2H-azocine.
What is the SMILES notation for 1,2,3-trimethyl-3,4,5,6-tetrahydro-2H-azocine?
The canonical SMILES for 1,2,3-trimethyl-3,4,5,6-tetrahydro-2H-azocine is CC1CCCC=CN(C)C1C.
What is the InChIKey of 1,2,3-trimethyl-3,4,5,6-tetrahydro-2H-azocine?
The InChIKey is GGQOJLZYJQPZLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N/c1-9-7-5-4-6-8-11(3)10(9)2/h6,8-10H,4-5,7H2,1-3H3.
What are the key properties of 1,2,3-trimethyl-3,4,5,6-tetrahydro-2H-azocine?
1,2,3-trimethyl-3,4,5,6-tetrahydro-2H-azocine has a molecular weight of 153.27 g/mol, XLogP of 2.64, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3-trimethyl-3,4,5,6-tetrahydro-2H-azocine is sourced from PubChem (CID 76744098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).