(1Z,3Z)-5-ethyl-3-methanimidoyl-6,6-dimethylhepta-1,3-diene-1,4-diamine

C12H23N3 — CID 146369451

IUPAC(1Z,3Z)-5-ethyl-3-methanimidoyl-6,6-dimethylhepta-1,3-diene-1,4-diamine
SMILES[H]/N=C/C(/C=C\N)=C(\N)C(CC)C(C)(C)C
InChIInChI=1S/C12H23N3/c1-5-10(12(2,3)4)11(15)9(8-14)6-7-13/h6-8,10,14H,5,13,15H2,1-4H3/b7-6-,11-9-,14-8+
InChIKeySNXOSXFMHNRCPP-QYKBJUBCSA-N
MW209.34 g/mol
LogP2.39
Rot. Bonds4

About (1Z,3Z)-5-ethyl-3-methanimidoyl-6,6-dimethylhepta-1,3-diene-1,4-diamine

(1Z,3Z)-5-ethyl-3-methanimidoyl-6,6-dimethylhepta-1,3-diene-1,4-diamine (PubChem CID 146369451) has the molecular formula C12H23N3 and a molecular weight of 209.34 g/mol. Its IUPAC name is (1Z,3Z)-5-ethyl-3-methanimidoyl-6,6-dimethylhepta-1,3-diene-1,4-diamine.

Molecular Properties

Compound Name(1Z,3Z)-5-ethyl-3-methanimidoyl-6,6-dimethylhepta-1,3-diene-1,4-diamine
PubChem CID146369451
Molecular FormulaC12H23N3
Molecular Weight209.34 g/mol
Exact Mass209.19
IUPAC Name(1Z,3Z)-5-ethyl-3-methanimidoyl-6,6-dimethylhepta-1,3-diene-1,4-diamine
SMILES[H]/N=C/C(/C=C\N)=C(\N)C(CC)C(C)(C)C
InChIInChI=1S/C12H23N3/c1-5-10(12(2,3)4)11(15)9(8-14)6-7-13/h6-8,10,14H,5,13,15H2,1-4H3/b7-6-,11-9-,14-8+
InChIKeySNXOSXFMHNRCPP-QYKBJUBCSA-N
XLogP2.39
TPSA75.89 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.34
LogP ≤ 52.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1Z,3Z)-5-ethyl-3-methanimidoyl-6,6-dimethylhepta-1,3-diene-1,4-diamine?
The IUPAC name of (1Z,3Z)-5-ethyl-3-methanimidoyl-6,6-dimethylhepta-1,3-diene-1,4-diamine (CID 146369451) is (1Z,3Z)-5-ethyl-3-methanimidoyl-6,6-dimethylhepta-1,3-diene-1,4-diamine.
What is the SMILES notation for (1Z,3Z)-5-ethyl-3-methanimidoyl-6,6-dimethylhepta-1,3-diene-1,4-diamine?
The canonical SMILES for (1Z,3Z)-5-ethyl-3-methanimidoyl-6,6-dimethylhepta-1,3-diene-1,4-diamine is [H]/N=C/C(/C=C\N)=C(\N)C(CC)C(C)(C)C.
What is the InChIKey of (1Z,3Z)-5-ethyl-3-methanimidoyl-6,6-dimethylhepta-1,3-diene-1,4-diamine?
The InChIKey is SNXOSXFMHNRCPP-QYKBJUBCSA-N. The full InChI is InChI=1S/C12H23N3/c1-5-10(12(2,3)4)11(15)9(8-14)6-7-13/h6-8,10,14H,5,13,15H2,1-4H3/b7-6-,11-9-,14-8+.
What are the key properties of (1Z,3Z)-5-ethyl-3-methanimidoyl-6,6-dimethylhepta-1,3-diene-1,4-diamine?
(1Z,3Z)-5-ethyl-3-methanimidoyl-6,6-dimethylhepta-1,3-diene-1,4-diamine has a molecular weight of 209.34 g/mol, XLogP of 2.39, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z,3Z)-5-ethyl-3-methanimidoyl-6,6-dimethylhepta-1,3-diene-1,4-diamine is sourced from PubChem (CID 146369451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).