(2E,6E)-5,6-dimethyl-7-(2-methylpropylideneamino)-4,5-dihydroazocin-8-amine

C13H21N3 — CID 126593327

IUPAC(2E,6E)-5,6-dimethyl-7-(2-methylpropylideneamino)-4,5-dihydroazocin-8-amine
SMILESC/C1=C(\N=C\C(C)C)C(/N)=N\C=C/CC1C
InChIInChI=1S/C13H21N3/c1-9(2)8-16-12-11(4)10(3)6-5-7-15-13(12)14/h5,7-10H,6H2,1-4H3,(H2,14,15)/b7-5-,12-11+,16-8+
InChIKeyQYDUINBVQJUOCS-QDBLGKGPSA-N
MW219.33 g/mol
LogP2.90
Rot. Bonds2

About (2E,6E)-5,6-dimethyl-7-(2-methylpropylideneamino)-4,5-dihydroazocin-8-amine

(2E,6E)-5,6-dimethyl-7-(2-methylpropylideneamino)-4,5-dihydroazocin-8-amine (PubChem CID 126593327) has the molecular formula C13H21N3 and a molecular weight of 219.33 g/mol. Its IUPAC name is (2E,6E)-5,6-dimethyl-7-(2-methylpropylideneamino)-4,5-dihydroazocin-8-amine.

Molecular Properties

Compound Name(2E,6E)-5,6-dimethyl-7-(2-methylpropylideneamino)-4,5-dihydroazocin-8-amine
PubChem CID126593327
Molecular FormulaC13H21N3
Molecular Weight219.33 g/mol
Exact Mass219.17
IUPAC Name(2E,6E)-5,6-dimethyl-7-(2-methylpropylideneamino)-4,5-dihydroazocin-8-amine
SMILESC/C1=C(\N=C\C(C)C)C(/N)=N\C=C/CC1C
InChIInChI=1S/C13H21N3/c1-9(2)8-16-12-11(4)10(3)6-5-7-15-13(12)14/h5,7-10H,6H2,1-4H3,(H2,14,15)/b7-5-,12-11+,16-8+
InChIKeyQYDUINBVQJUOCS-QDBLGKGPSA-N
XLogP2.90
TPSA50.74 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2E,6E)-5,6-dimethyl-7-(2-methylpropylideneamino)-4,5-dihydroazocin-8-amine?
The IUPAC name of (2E,6E)-5,6-dimethyl-7-(2-methylpropylideneamino)-4,5-dihydroazocin-8-amine (CID 126593327) is (2E,6E)-5,6-dimethyl-7-(2-methylpropylideneamino)-4,5-dihydroazocin-8-amine.
What is the SMILES notation for (2E,6E)-5,6-dimethyl-7-(2-methylpropylideneamino)-4,5-dihydroazocin-8-amine?
The canonical SMILES for (2E,6E)-5,6-dimethyl-7-(2-methylpropylideneamino)-4,5-dihydroazocin-8-amine is C/C1=C(\N=C\C(C)C)C(/N)=N\C=C/CC1C.
What is the InChIKey of (2E,6E)-5,6-dimethyl-7-(2-methylpropylideneamino)-4,5-dihydroazocin-8-amine?
The InChIKey is QYDUINBVQJUOCS-QDBLGKGPSA-N. The full InChI is InChI=1S/C13H21N3/c1-9(2)8-16-12-11(4)10(3)6-5-7-15-13(12)14/h5,7-10H,6H2,1-4H3,(H2,14,15)/b7-5-,12-11+,16-8+.
What are the key properties of (2E,6E)-5,6-dimethyl-7-(2-methylpropylideneamino)-4,5-dihydroazocin-8-amine?
(2E,6E)-5,6-dimethyl-7-(2-methylpropylideneamino)-4,5-dihydroazocin-8-amine has a molecular weight of 219.33 g/mol, XLogP of 2.90, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,6E)-5,6-dimethyl-7-(2-methylpropylideneamino)-4,5-dihydroazocin-8-amine is sourced from PubChem (CID 126593327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).