(1Z,3Z,6E)-6-[[amino(methyl)amino]methylidene]-3-methyl-5-methylideneocta-1,3,7-trien-1-amine

C12H19N3 — CID 88863715

IUPAC(1Z,3Z,6E)-6-[[amino(methyl)amino]methylidene]-3-methyl-5-methylideneocta-1,3,7-trien-1-amine
SMILESC=C/C(=C\N(C)N)C(=C)/C=C(C)\C=C/N
InChIInChI=1S/C12H19N3/c1-5-12(9-15(4)14)11(3)8-10(2)6-7-13/h5-9H,1,3,13-14H2,2,4H3/b7-6-,10-8-,12-9+
InChIKeyROFJEPPBSSYMDN-MLMFGTCKSA-N
MW205.30 g/mol
LogP1.84
Rot. Bonds5

About (1Z,3Z,6E)-6-[[amino(methyl)amino]methylidene]-3-methyl-5-methylideneocta-1,3,7-trien-1-amine

(1Z,3Z,6E)-6-[[amino(methyl)amino]methylidene]-3-methyl-5-methylideneocta-1,3,7-trien-1-amine (PubChem CID 88863715) has the molecular formula C12H19N3 and a molecular weight of 205.30 g/mol. Its IUPAC name is (1Z,3Z,6E)-6-[[amino(methyl)amino]methylidene]-3-methyl-5-methylideneocta-1,3,7-trien-1-amine.

Molecular Properties

Compound Name(1Z,3Z,6E)-6-[[amino(methyl)amino]methylidene]-3-methyl-5-methylideneocta-1,3,7-trien-1-amine
PubChem CID88863715
Molecular FormulaC12H19N3
Molecular Weight205.30 g/mol
Exact Mass205.16
IUPAC Name(1Z,3Z,6E)-6-[[amino(methyl)amino]methylidene]-3-methyl-5-methylideneocta-1,3,7-trien-1-amine
SMILESC=C/C(=C\N(C)N)C(=C)/C=C(C)\C=C/N
InChIInChI=1S/C12H19N3/c1-5-12(9-15(4)14)11(3)8-10(2)6-7-13/h5-9H,1,3,13-14H2,2,4H3/b7-6-,10-8-,12-9+
InChIKeyROFJEPPBSSYMDN-MLMFGTCKSA-N
XLogP1.84
TPSA55.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1Z,3Z,6E)-6-[[amino(methyl)amino]methylidene]-3-methyl-5-methylideneocta-1,3,7-trien-1-amine?
The IUPAC name of (1Z,3Z,6E)-6-[[amino(methyl)amino]methylidene]-3-methyl-5-methylideneocta-1,3,7-trien-1-amine (CID 88863715) is (1Z,3Z,6E)-6-[[amino(methyl)amino]methylidene]-3-methyl-5-methylideneocta-1,3,7-trien-1-amine.
What is the SMILES notation for (1Z,3Z,6E)-6-[[amino(methyl)amino]methylidene]-3-methyl-5-methylideneocta-1,3,7-trien-1-amine?
The canonical SMILES for (1Z,3Z,6E)-6-[[amino(methyl)amino]methylidene]-3-methyl-5-methylideneocta-1,3,7-trien-1-amine is C=C/C(=C\N(C)N)C(=C)/C=C(C)\C=C/N.
What is the InChIKey of (1Z,3Z,6E)-6-[[amino(methyl)amino]methylidene]-3-methyl-5-methylideneocta-1,3,7-trien-1-amine?
The InChIKey is ROFJEPPBSSYMDN-MLMFGTCKSA-N. The full InChI is InChI=1S/C12H19N3/c1-5-12(9-15(4)14)11(3)8-10(2)6-7-13/h5-9H,1,3,13-14H2,2,4H3/b7-6-,10-8-,12-9+.
What are the key properties of (1Z,3Z,6E)-6-[[amino(methyl)amino]methylidene]-3-methyl-5-methylideneocta-1,3,7-trien-1-amine?
(1Z,3Z,6E)-6-[[amino(methyl)amino]methylidene]-3-methyl-5-methylideneocta-1,3,7-trien-1-amine has a molecular weight of 205.30 g/mol, XLogP of 1.84, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z,3Z,6E)-6-[[amino(methyl)amino]methylidene]-3-methyl-5-methylideneocta-1,3,7-trien-1-amine is sourced from PubChem (CID 88863715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).