(Z)-3,4-dimethylpent-2-ene;1,3,5,7-tetrazatricyclo[3.3.1.13,7]decane

C13H26N4 — CID 67857329

IUPAC(Z)-3,4-dimethylpent-2-ene;1,3,5,7-tetrazatricyclo[3.3.1.13,7]decane
SMILESC/C=C(/C)C(C)C.C1N2CN3CN1CN(C2)C3
InChIInChI=1S/C7H14.C6H12N4/c1-5-7(4)6(2)3;1-7-2-9-4-8(1)5-10(3-7)6-9/h5-6H,1-4H3;1-6H2/b7-5-;
InChIKeyILZUNEBNCZBBHP-YJOCEBFMSA-N
MW238.38 g/mol
LogP1.59
Rot. Bonds1

About (Z)-3,4-dimethylpent-2-ene;1,3,5,7-tetrazatricyclo[3.3.1.13,7]decane

(Z)-3,4-dimethylpent-2-ene;1,3,5,7-tetrazatricyclo[3.3.1.13,7]decane (PubChem CID 67857329) has the molecular formula C13H26N4 and a molecular weight of 238.38 g/mol. Its IUPAC name is (Z)-3,4-dimethylpent-2-ene;1,3,5,7-tetrazatricyclo[3.3.1.13,7]decane.

Molecular Properties

Compound Name(Z)-3,4-dimethylpent-2-ene;1,3,5,7-tetrazatricyclo[3.3.1.13,7]decane
PubChem CID67857329
Molecular FormulaC13H26N4
Molecular Weight238.38 g/mol
Exact Mass238.22
IUPAC Name(Z)-3,4-dimethylpent-2-ene;1,3,5,7-tetrazatricyclo[3.3.1.13,7]decane
SMILESC/C=C(/C)C(C)C.C1N2CN3CN1CN(C2)C3
InChIInChI=1S/C7H14.C6H12N4/c1-5-7(4)6(2)3;1-7-2-9-4-8(1)5-10(3-7)6-9/h5-6H,1-4H3;1-6H2/b7-5-;
InChIKeyILZUNEBNCZBBHP-YJOCEBFMSA-N
XLogP1.59
TPSA12.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.38
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-3,4-dimethylpent-2-ene;1,3,5,7-tetrazatricyclo[3.3.1.13,7]decane?
The IUPAC name of (Z)-3,4-dimethylpent-2-ene;1,3,5,7-tetrazatricyclo[3.3.1.13,7]decane (CID 67857329) is (Z)-3,4-dimethylpent-2-ene;1,3,5,7-tetrazatricyclo[3.3.1.13,7]decane.
What is the SMILES notation for (Z)-3,4-dimethylpent-2-ene;1,3,5,7-tetrazatricyclo[3.3.1.13,7]decane?
The canonical SMILES for (Z)-3,4-dimethylpent-2-ene;1,3,5,7-tetrazatricyclo[3.3.1.13,7]decane is C/C=C(/C)C(C)C.C1N2CN3CN1CN(C2)C3.
What is the InChIKey of (Z)-3,4-dimethylpent-2-ene;1,3,5,7-tetrazatricyclo[3.3.1.13,7]decane?
The InChIKey is ILZUNEBNCZBBHP-YJOCEBFMSA-N. The full InChI is InChI=1S/C7H14.C6H12N4/c1-5-7(4)6(2)3;1-7-2-9-4-8(1)5-10(3-7)6-9/h5-6H,1-4H3;1-6H2/b7-5-;.
What are the key properties of (Z)-3,4-dimethylpent-2-ene;1,3,5,7-tetrazatricyclo[3.3.1.13,7]decane?
(Z)-3,4-dimethylpent-2-ene;1,3,5,7-tetrazatricyclo[3.3.1.13,7]decane has a molecular weight of 238.38 g/mol, XLogP of 1.59, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3,4-dimethylpent-2-ene;1,3,5,7-tetrazatricyclo[3.3.1.13,7]decane is sourced from PubChem (CID 67857329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).