(2E,6E)-7-[(Z)-but-1-enyl]-5-methyl-4,5-dihydroazocine-6,8-diamine

C12H19N3 — CID 126593384

IUPAC(2E,6E)-7-[(Z)-but-1-enyl]-5-methyl-4,5-dihydroazocine-6,8-diamine
SMILESCC/C=C\C1=C(/N)C(C)C/C=C/N=C1/N
InChIInChI=1S/C12H19N3/c1-3-4-7-10-11(13)9(2)6-5-8-15-12(10)14/h4-5,7-9H,3,6,13H2,1-2H3,(H2,14,15)/b7-4-,8-5-,11-10+
InChIKeyGJYKOBSNFPTJKT-HYARWKFYSA-N
MW205.30 g/mol
LogP2.08
Rot. Bonds2

About (2E,6E)-7-[(Z)-but-1-enyl]-5-methyl-4,5-dihydroazocine-6,8-diamine

(2E,6E)-7-[(Z)-but-1-enyl]-5-methyl-4,5-dihydroazocine-6,8-diamine (PubChem CID 126593384) has the molecular formula C12H19N3 and a molecular weight of 205.30 g/mol. Its IUPAC name is (2E,6E)-7-[(Z)-but-1-enyl]-5-methyl-4,5-dihydroazocine-6,8-diamine.

Molecular Properties

Compound Name(2E,6E)-7-[(Z)-but-1-enyl]-5-methyl-4,5-dihydroazocine-6,8-diamine
PubChem CID126593384
Molecular FormulaC12H19N3
Molecular Weight205.30 g/mol
Exact Mass205.16
IUPAC Name(2E,6E)-7-[(Z)-but-1-enyl]-5-methyl-4,5-dihydroazocine-6,8-diamine
SMILESCC/C=C\C1=C(/N)C(C)C/C=C/N=C1/N
InChIInChI=1S/C12H19N3/c1-3-4-7-10-11(13)9(2)6-5-8-15-12(10)14/h4-5,7-9H,3,6,13H2,1-2H3,(H2,14,15)/b7-4-,8-5-,11-10+
InChIKeyGJYKOBSNFPTJKT-HYARWKFYSA-N
XLogP2.08
TPSA64.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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(E)-N'-[(E)-but-1-enyl]-3-fluoro-5-methyl-2-propan-2-ylidenehept-3-enimidamide
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(Z,2Z)-N'-ethenyl-5,6-dimethyl-2-[(E)-pent-3-en-2-ylidene]hept-3-enimidamide
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4-ethenyl-7-[(1E,3Z)-2-(4-ethenylcyclohexa-1,5-dien-1-yl)penta-1,3-dienyl]-3H-azepin-2-amine
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Frequently Asked Questions

What is the IUPAC name of (2E,6E)-7-[(Z)-but-1-enyl]-5-methyl-4,5-dihydroazocine-6,8-diamine?
The IUPAC name of (2E,6E)-7-[(Z)-but-1-enyl]-5-methyl-4,5-dihydroazocine-6,8-diamine (CID 126593384) is (2E,6E)-7-[(Z)-but-1-enyl]-5-methyl-4,5-dihydroazocine-6,8-diamine.
What is the SMILES notation for (2E,6E)-7-[(Z)-but-1-enyl]-5-methyl-4,5-dihydroazocine-6,8-diamine?
The canonical SMILES for (2E,6E)-7-[(Z)-but-1-enyl]-5-methyl-4,5-dihydroazocine-6,8-diamine is CC/C=C\C1=C(/N)C(C)C/C=C/N=C1/N.
What is the InChIKey of (2E,6E)-7-[(Z)-but-1-enyl]-5-methyl-4,5-dihydroazocine-6,8-diamine?
The InChIKey is GJYKOBSNFPTJKT-HYARWKFYSA-N. The full InChI is InChI=1S/C12H19N3/c1-3-4-7-10-11(13)9(2)6-5-8-15-12(10)14/h4-5,7-9H,3,6,13H2,1-2H3,(H2,14,15)/b7-4-,8-5-,11-10+.
What are the key properties of (2E,6E)-7-[(Z)-but-1-enyl]-5-methyl-4,5-dihydroazocine-6,8-diamine?
(2E,6E)-7-[(Z)-but-1-enyl]-5-methyl-4,5-dihydroazocine-6,8-diamine has a molecular weight of 205.30 g/mol, XLogP of 2.08, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,6E)-7-[(Z)-but-1-enyl]-5-methyl-4,5-dihydroazocine-6,8-diamine is sourced from PubChem (CID 126593384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).