(7Z)-1,5-di(propan-2-yl)-2,3,4,6-tetrahydro-1,5-diazocine

C12H24N2 — CID 59559347

IUPAC(7Z)-1,5-di(propan-2-yl)-2,3,4,6-tetrahydro-1,5-diazocine
SMILESCC(C)N1/C=C\CN(C(C)C)CCC1
InChIInChI=1S/C12H24N2/c1-11(2)13-7-5-9-14(12(3)4)10-6-8-13/h5,7,11-12H,6,8-10H2,1-4H3/b7-5-
InChIKeyMAPZSYAFRTVAFV-ALCCZGGFSA-N
MW196.34 g/mol
LogP2.32
Rot. Bonds2

About (7Z)-1,5-di(propan-2-yl)-2,3,4,6-tetrahydro-1,5-diazocine

(7Z)-1,5-di(propan-2-yl)-2,3,4,6-tetrahydro-1,5-diazocine (PubChem CID 59559347) has the molecular formula C12H24N2 and a molecular weight of 196.34 g/mol. Its IUPAC name is (7Z)-1,5-di(propan-2-yl)-2,3,4,6-tetrahydro-1,5-diazocine.

Molecular Properties

Compound Name(7Z)-1,5-di(propan-2-yl)-2,3,4,6-tetrahydro-1,5-diazocine
PubChem CID59559347
Molecular FormulaC12H24N2
Molecular Weight196.34 g/mol
Exact Mass196.19
IUPAC Name(7Z)-1,5-di(propan-2-yl)-2,3,4,6-tetrahydro-1,5-diazocine
SMILESCC(C)N1/C=C\CN(C(C)C)CCC1
InChIInChI=1S/C12H24N2/c1-11(2)13-7-5-9-14(12(3)4)10-6-8-13/h5,7,11-12H,6,8-10H2,1-4H3/b7-5-
InChIKeyMAPZSYAFRTVAFV-ALCCZGGFSA-N
XLogP2.32
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.34
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (7Z)-1,5-di(propan-2-yl)-2,3,4,6-tetrahydro-1,5-diazocine?
The IUPAC name of (7Z)-1,5-di(propan-2-yl)-2,3,4,6-tetrahydro-1,5-diazocine (CID 59559347) is (7Z)-1,5-di(propan-2-yl)-2,3,4,6-tetrahydro-1,5-diazocine.
What is the SMILES notation for (7Z)-1,5-di(propan-2-yl)-2,3,4,6-tetrahydro-1,5-diazocine?
The canonical SMILES for (7Z)-1,5-di(propan-2-yl)-2,3,4,6-tetrahydro-1,5-diazocine is CC(C)N1/C=C\CN(C(C)C)CCC1.
What is the InChIKey of (7Z)-1,5-di(propan-2-yl)-2,3,4,6-tetrahydro-1,5-diazocine?
The InChIKey is MAPZSYAFRTVAFV-ALCCZGGFSA-N. The full InChI is InChI=1S/C12H24N2/c1-11(2)13-7-5-9-14(12(3)4)10-6-8-13/h5,7,11-12H,6,8-10H2,1-4H3/b7-5-.
What are the key properties of (7Z)-1,5-di(propan-2-yl)-2,3,4,6-tetrahydro-1,5-diazocine?
(7Z)-1,5-di(propan-2-yl)-2,3,4,6-tetrahydro-1,5-diazocine has a molecular weight of 196.34 g/mol, XLogP of 2.32, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (7Z)-1,5-di(propan-2-yl)-2,3,4,6-tetrahydro-1,5-diazocine is sourced from PubChem (CID 59559347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).