(7Z)-8-ethyl-4,7-dimethyl-2,3,5,6-tetrahydro-1H-1,4-diazocine

C10H20N2 — CID 126535266

IUPAC(7Z)-8-ethyl-4,7-dimethyl-2,3,5,6-tetrahydro-1H-1,4-diazocine
SMILESCC/C1=C(\C)CCN(C)CCN1
InChIInChI=1S/C10H20N2/c1-4-10-9(2)5-7-12(3)8-6-11-10/h11H,4-8H2,1-3H3/b10-9-
InChIKeyXXIDGWVQQAPHCP-KTKRTIGZSA-N
MW168.28 g/mol
LogP1.60
Rot. Bonds1

About (7Z)-8-ethyl-4,7-dimethyl-2,3,5,6-tetrahydro-1H-1,4-diazocine

(7Z)-8-ethyl-4,7-dimethyl-2,3,5,6-tetrahydro-1H-1,4-diazocine (PubChem CID 126535266) has the molecular formula C10H20N2 and a molecular weight of 168.28 g/mol. Its IUPAC name is (7Z)-8-ethyl-4,7-dimethyl-2,3,5,6-tetrahydro-1H-1,4-diazocine.

Molecular Properties

Compound Name(7Z)-8-ethyl-4,7-dimethyl-2,3,5,6-tetrahydro-1H-1,4-diazocine
PubChem CID126535266
Molecular FormulaC10H20N2
Molecular Weight168.28 g/mol
Exact Mass168.16
IUPAC Name(7Z)-8-ethyl-4,7-dimethyl-2,3,5,6-tetrahydro-1H-1,4-diazocine
SMILESCC/C1=C(\C)CCN(C)CCN1
InChIInChI=1S/C10H20N2/c1-4-10-9(2)5-7-12(3)8-6-11-10/h11H,4-8H2,1-3H3/b10-9-
InChIKeyXXIDGWVQQAPHCP-KTKRTIGZSA-N
XLogP1.60
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (7Z)-8-ethyl-4,7-dimethyl-2,3,5,6-tetrahydro-1H-1,4-diazocine?
The IUPAC name of (7Z)-8-ethyl-4,7-dimethyl-2,3,5,6-tetrahydro-1H-1,4-diazocine (CID 126535266) is (7Z)-8-ethyl-4,7-dimethyl-2,3,5,6-tetrahydro-1H-1,4-diazocine.
What is the SMILES notation for (7Z)-8-ethyl-4,7-dimethyl-2,3,5,6-tetrahydro-1H-1,4-diazocine?
The canonical SMILES for (7Z)-8-ethyl-4,7-dimethyl-2,3,5,6-tetrahydro-1H-1,4-diazocine is CC/C1=C(\C)CCN(C)CCN1.
What is the InChIKey of (7Z)-8-ethyl-4,7-dimethyl-2,3,5,6-tetrahydro-1H-1,4-diazocine?
The InChIKey is XXIDGWVQQAPHCP-KTKRTIGZSA-N. The full InChI is InChI=1S/C10H20N2/c1-4-10-9(2)5-7-12(3)8-6-11-10/h11H,4-8H2,1-3H3/b10-9-.
What are the key properties of (7Z)-8-ethyl-4,7-dimethyl-2,3,5,6-tetrahydro-1H-1,4-diazocine?
(7Z)-8-ethyl-4,7-dimethyl-2,3,5,6-tetrahydro-1H-1,4-diazocine has a molecular weight of 168.28 g/mol, XLogP of 1.60, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (7Z)-8-ethyl-4,7-dimethyl-2,3,5,6-tetrahydro-1H-1,4-diazocine is sourced from PubChem (CID 126535266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).