7,8-dimethyl-9-prop-1-enyl-1-prop-1-en-2-yl-2,7-dihydroazonine

C16H23N — CID 123145255

IUPAC7,8-dimethyl-9-prop-1-enyl-1-prop-1-en-2-yl-2,7-dihydroazonine
SMILESC=C(C)N1CC=CC=CC(C)C(C)=C1C=CC
InChIInChI=1S/C16H23N/c1-6-10-16-15(5)14(4)11-8-7-9-12-17(16)13(2)3/h6-11,14H,2,12H2,1,3-5H3
InChIKeyZQVNKLMSXLVXSC-UHFFFAOYSA-N
MW229.37 g/mol
LogP4.43
Rot. Bonds2

About 7,8-dimethyl-9-prop-1-enyl-1-prop-1-en-2-yl-2,7-dihydroazonine

7,8-dimethyl-9-prop-1-enyl-1-prop-1-en-2-yl-2,7-dihydroazonine (PubChem CID 123145255) has the molecular formula C16H23N and a molecular weight of 229.37 g/mol. Its IUPAC name is 7,8-dimethyl-9-prop-1-enyl-1-prop-1-en-2-yl-2,7-dihydroazonine.

Molecular Properties

Compound Name7,8-dimethyl-9-prop-1-enyl-1-prop-1-en-2-yl-2,7-dihydroazonine
PubChem CID123145255
Molecular FormulaC16H23N
Molecular Weight229.37 g/mol
Exact Mass229.18
IUPAC Name7,8-dimethyl-9-prop-1-enyl-1-prop-1-en-2-yl-2,7-dihydroazonine
SMILESC=C(C)N1CC=CC=CC(C)C(C)=C1C=CC
InChIInChI=1S/C16H23N/c1-6-10-16-15(5)14(4)11-8-7-9-12-17(16)13(2)3/h6-11,14H,2,12H2,1,3-5H3
InChIKeyZQVNKLMSXLVXSC-UHFFFAOYSA-N
XLogP4.43
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.37
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 7,8-dimethyl-9-prop-1-enyl-1-prop-1-en-2-yl-2,7-dihydroazonine?
The IUPAC name of 7,8-dimethyl-9-prop-1-enyl-1-prop-1-en-2-yl-2,7-dihydroazonine (CID 123145255) is 7,8-dimethyl-9-prop-1-enyl-1-prop-1-en-2-yl-2,7-dihydroazonine.
What is the SMILES notation for 7,8-dimethyl-9-prop-1-enyl-1-prop-1-en-2-yl-2,7-dihydroazonine?
The canonical SMILES for 7,8-dimethyl-9-prop-1-enyl-1-prop-1-en-2-yl-2,7-dihydroazonine is C=C(C)N1CC=CC=CC(C)C(C)=C1C=CC.
What is the InChIKey of 7,8-dimethyl-9-prop-1-enyl-1-prop-1-en-2-yl-2,7-dihydroazonine?
The InChIKey is ZQVNKLMSXLVXSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N/c1-6-10-16-15(5)14(4)11-8-7-9-12-17(16)13(2)3/h6-11,14H,2,12H2,1,3-5H3.
What are the key properties of 7,8-dimethyl-9-prop-1-enyl-1-prop-1-en-2-yl-2,7-dihydroazonine?
7,8-dimethyl-9-prop-1-enyl-1-prop-1-en-2-yl-2,7-dihydroazonine has a molecular weight of 229.37 g/mol, XLogP of 4.43, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7,8-dimethyl-9-prop-1-enyl-1-prop-1-en-2-yl-2,7-dihydroazonine is sourced from PubChem (CID 123145255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).