(5E,7E)-2-amino-3,6,8-trimethyl-3,4-dihydroazocine-7-carbonitrile

C11H15N3 — CID 144779752

IUPAC(5E,7E)-2-amino-3,6,8-trimethyl-3,4-dihydroazocine-7-carbonitrile
SMILESCC1=C/CC(C)/C(N)=N/C(C)=C\1C#N
InChIInChI=1S/C11H15N3/c1-7-4-5-8(2)11(13)14-9(3)10(7)6-12/h4,8H,5H2,1-3H3,(H2,13,14)/b7-4-,10-9-
InChIKeyYOGGDJVQVLYSOA-NSPOTZJRSA-N
MW189.26 g/mol
LogP2.13
Rot. Bonds

About (5E,7E)-2-amino-3,6,8-trimethyl-3,4-dihydroazocine-7-carbonitrile

(5E,7E)-2-amino-3,6,8-trimethyl-3,4-dihydroazocine-7-carbonitrile (PubChem CID 144779752) has the molecular formula C11H15N3 and a molecular weight of 189.26 g/mol. Its IUPAC name is (5E,7E)-2-amino-3,6,8-trimethyl-3,4-dihydroazocine-7-carbonitrile.

Molecular Properties

Compound Name(5E,7E)-2-amino-3,6,8-trimethyl-3,4-dihydroazocine-7-carbonitrile
PubChem CID144779752
Molecular FormulaC11H15N3
Molecular Weight189.26 g/mol
Exact Mass189.13
IUPAC Name(5E,7E)-2-amino-3,6,8-trimethyl-3,4-dihydroazocine-7-carbonitrile
SMILESCC1=C/CC(C)/C(N)=N/C(C)=C\1C#N
InChIInChI=1S/C11H15N3/c1-7-4-5-8(2)11(13)14-9(3)10(7)6-12/h4,8H,5H2,1-3H3,(H2,13,14)/b7-4-,10-9-
InChIKeyYOGGDJVQVLYSOA-NSPOTZJRSA-N
XLogP2.13
TPSA62.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5E,7E)-2-amino-3,6,8-trimethyl-3,4-dihydroazocine-7-carbonitrile?
The IUPAC name of (5E,7E)-2-amino-3,6,8-trimethyl-3,4-dihydroazocine-7-carbonitrile (CID 144779752) is (5E,7E)-2-amino-3,6,8-trimethyl-3,4-dihydroazocine-7-carbonitrile.
What is the SMILES notation for (5E,7E)-2-amino-3,6,8-trimethyl-3,4-dihydroazocine-7-carbonitrile?
The canonical SMILES for (5E,7E)-2-amino-3,6,8-trimethyl-3,4-dihydroazocine-7-carbonitrile is CC1=C/CC(C)/C(N)=N/C(C)=C\1C#N.
What is the InChIKey of (5E,7E)-2-amino-3,6,8-trimethyl-3,4-dihydroazocine-7-carbonitrile?
The InChIKey is YOGGDJVQVLYSOA-NSPOTZJRSA-N. The full InChI is InChI=1S/C11H15N3/c1-7-4-5-8(2)11(13)14-9(3)10(7)6-12/h4,8H,5H2,1-3H3,(H2,13,14)/b7-4-,10-9-.
What are the key properties of (5E,7E)-2-amino-3,6,8-trimethyl-3,4-dihydroazocine-7-carbonitrile?
(5E,7E)-2-amino-3,6,8-trimethyl-3,4-dihydroazocine-7-carbonitrile has a molecular weight of 189.26 g/mol, XLogP of 2.13, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5E,7E)-2-amino-3,6,8-trimethyl-3,4-dihydroazocine-7-carbonitrile is sourced from PubChem (CID 144779752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).