4,10,11-trimethyl-6,8,9,10,11,11a-hexahydro-1H-pyrido[1,2-a][1,3]diazocine

C13H22N2 — CID 174112122

IUPAC4,10,11-trimethyl-6,8,9,10,11,11a-hexahydro-1H-pyrido[1,2-a][1,3]diazocine
SMILESCC1=CCN2CCC(C)C(C)C2NC=C1
InChIInChI=1S/C13H22N2/c1-10-4-7-14-13-12(3)11(2)6-9-15(13)8-5-10/h4-5,7,11-14H,6,8-9H2,1-3H3
InChIKeyTXMFOSJHXJCRMK-UHFFFAOYSA-N
MW206.33 g/mol
LogP2.35
Rot. Bonds

About 4,10,11-trimethyl-6,8,9,10,11,11a-hexahydro-1H-pyrido[1,2-a][1,3]diazocine

4,10,11-trimethyl-6,8,9,10,11,11a-hexahydro-1H-pyrido[1,2-a][1,3]diazocine (PubChem CID 174112122) has the molecular formula C13H22N2 and a molecular weight of 206.33 g/mol. Its IUPAC name is 4,10,11-trimethyl-6,8,9,10,11,11a-hexahydro-1H-pyrido[1,2-a][1,3]diazocine.

Molecular Properties

Compound Name4,10,11-trimethyl-6,8,9,10,11,11a-hexahydro-1H-pyrido[1,2-a][1,3]diazocine
PubChem CID174112122
Molecular FormulaC13H22N2
Molecular Weight206.33 g/mol
Exact Mass206.18
IUPAC Name4,10,11-trimethyl-6,8,9,10,11,11a-hexahydro-1H-pyrido[1,2-a][1,3]diazocine
SMILESCC1=CCN2CCC(C)C(C)C2NC=C1
InChIInChI=1S/C13H22N2/c1-10-4-7-14-13-12(3)11(2)6-9-15(13)8-5-10/h4-5,7,11-14H,6,8-9H2,1-3H3
InChIKeyTXMFOSJHXJCRMK-UHFFFAOYSA-N
XLogP2.35
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4,10,11-trimethyl-6,8,9,10,11,11a-hexahydro-1H-pyrido[1,2-a][1,3]diazocine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4,10,11-trimethyl-6,8,9,10,11,11a-hexahydro-1H-pyrido[1,2-a][1,3]diazocine?
The IUPAC name of 4,10,11-trimethyl-6,8,9,10,11,11a-hexahydro-1H-pyrido[1,2-a][1,3]diazocine (CID 174112122) is 4,10,11-trimethyl-6,8,9,10,11,11a-hexahydro-1H-pyrido[1,2-a][1,3]diazocine.
What is the SMILES notation for 4,10,11-trimethyl-6,8,9,10,11,11a-hexahydro-1H-pyrido[1,2-a][1,3]diazocine?
The canonical SMILES for 4,10,11-trimethyl-6,8,9,10,11,11a-hexahydro-1H-pyrido[1,2-a][1,3]diazocine is CC1=CCN2CCC(C)C(C)C2NC=C1.
What is the InChIKey of 4,10,11-trimethyl-6,8,9,10,11,11a-hexahydro-1H-pyrido[1,2-a][1,3]diazocine?
The InChIKey is TXMFOSJHXJCRMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2/c1-10-4-7-14-13-12(3)11(2)6-9-15(13)8-5-10/h4-5,7,11-14H,6,8-9H2,1-3H3.
What are the key properties of 4,10,11-trimethyl-6,8,9,10,11,11a-hexahydro-1H-pyrido[1,2-a][1,3]diazocine?
4,10,11-trimethyl-6,8,9,10,11,11a-hexahydro-1H-pyrido[1,2-a][1,3]diazocine has a molecular weight of 206.33 g/mol, XLogP of 2.35, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,10,11-trimethyl-6,8,9,10,11,11a-hexahydro-1H-pyrido[1,2-a][1,3]diazocine is sourced from PubChem (CID 174112122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).