(4Z,6Z)-2,9-dimethyl-N-(methylideneamino)deca-2,4,6-trien-3-amine

C13H22N2 — CID 138656040

IUPAC(4Z,6Z)-2,9-dimethyl-N-(methylideneamino)deca-2,4,6-trien-3-amine
SMILESC=NNC(/C=C\C=C/CC(C)C)=C(C)C
InChIInChI=1S/C13H22N2/c1-11(2)9-7-6-8-10-13(12(3)4)15-14-5/h6-8,10-11,15H,5,9H2,1-4H3/b7-6-,10-8-
InChIKeyFBXNVGQCGXGDRL-INZNQPOWSA-N
MW206.33 g/mol
LogP3.64
Rot. Bonds6

About (4Z,6Z)-2,9-dimethyl-N-(methylideneamino)deca-2,4,6-trien-3-amine

(4Z,6Z)-2,9-dimethyl-N-(methylideneamino)deca-2,4,6-trien-3-amine (PubChem CID 138656040) has the molecular formula C13H22N2 and a molecular weight of 206.33 g/mol. Its IUPAC name is (4Z,6Z)-2,9-dimethyl-N-(methylideneamino)deca-2,4,6-trien-3-amine.

Molecular Properties

Compound Name(4Z,6Z)-2,9-dimethyl-N-(methylideneamino)deca-2,4,6-trien-3-amine
PubChem CID138656040
Molecular FormulaC13H22N2
Molecular Weight206.33 g/mol
Exact Mass206.18
IUPAC Name(4Z,6Z)-2,9-dimethyl-N-(methylideneamino)deca-2,4,6-trien-3-amine
SMILESC=NNC(/C=C\C=C/CC(C)C)=C(C)C
InChIInChI=1S/C13H22N2/c1-11(2)9-7-6-8-10-13(12(3)4)15-14-5/h6-8,10-11,15H,5,9H2,1-4H3/b7-6-,10-8-
InChIKeyFBXNVGQCGXGDRL-INZNQPOWSA-N
XLogP3.64
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', '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 (4Z,6Z)-2,9-dimethyl-N-(methylideneamino)deca-2,4,6-trien-3-amine?
The IUPAC name of (4Z,6Z)-2,9-dimethyl-N-(methylideneamino)deca-2,4,6-trien-3-amine (CID 138656040) is (4Z,6Z)-2,9-dimethyl-N-(methylideneamino)deca-2,4,6-trien-3-amine.
What is the SMILES notation for (4Z,6Z)-2,9-dimethyl-N-(methylideneamino)deca-2,4,6-trien-3-amine?
The canonical SMILES for (4Z,6Z)-2,9-dimethyl-N-(methylideneamino)deca-2,4,6-trien-3-amine is C=NNC(/C=C\C=C/CC(C)C)=C(C)C.
What is the InChIKey of (4Z,6Z)-2,9-dimethyl-N-(methylideneamino)deca-2,4,6-trien-3-amine?
The InChIKey is FBXNVGQCGXGDRL-INZNQPOWSA-N. The full InChI is InChI=1S/C13H22N2/c1-11(2)9-7-6-8-10-13(12(3)4)15-14-5/h6-8,10-11,15H,5,9H2,1-4H3/b7-6-,10-8-.
What are the key properties of (4Z,6Z)-2,9-dimethyl-N-(methylideneamino)deca-2,4,6-trien-3-amine?
(4Z,6Z)-2,9-dimethyl-N-(methylideneamino)deca-2,4,6-trien-3-amine has a molecular weight of 206.33 g/mol, XLogP of 3.64, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z,6Z)-2,9-dimethyl-N-(methylideneamino)deca-2,4,6-trien-3-amine is sourced from PubChem (CID 138656040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).