(Z)-N'-methyl-N'-[(4Z,6Z)-3-methylidenenona-1,4,6-trien-2-yl]ethene-1,2-diamine

C13H20N2 — CID 89064931

IUPAC(Z)-N'-methyl-N'-[(4Z,6Z)-3-methylidenenona-1,4,6-trien-2-yl]ethene-1,2-diamine
SMILESC=C(/C=C\C=C/CC)C(=C)N(C)/C=C\N
InChIInChI=1S/C13H20N2/c1-5-6-7-8-9-12(2)13(3)15(4)11-10-14/h6-11H,2-3,5,14H2,1,4H3/b7-6-,9-8-,11-10-
InChIKeyPWOKQCDSLXGXTN-HAQUHOBPSA-N
MW204.32 g/mol
LogP2.94
Rot. Bonds6

About (Z)-N'-methyl-N'-[(4Z,6Z)-3-methylidenenona-1,4,6-trien-2-yl]ethene-1,2-diamine

(Z)-N'-methyl-N'-[(4Z,6Z)-3-methylidenenona-1,4,6-trien-2-yl]ethene-1,2-diamine (PubChem CID 89064931) has the molecular formula C13H20N2 and a molecular weight of 204.32 g/mol. Its IUPAC name is (Z)-N'-methyl-N'-[(4Z,6Z)-3-methylidenenona-1,4,6-trien-2-yl]ethene-1,2-diamine.

Molecular Properties

Compound Name(Z)-N'-methyl-N'-[(4Z,6Z)-3-methylidenenona-1,4,6-trien-2-yl]ethene-1,2-diamine
PubChem CID89064931
Molecular FormulaC13H20N2
Molecular Weight204.32 g/mol
Exact Mass204.16
IUPAC Name(Z)-N'-methyl-N'-[(4Z,6Z)-3-methylidenenona-1,4,6-trien-2-yl]ethene-1,2-diamine
SMILESC=C(/C=C\C=C/CC)C(=C)N(C)/C=C\N
InChIInChI=1S/C13H20N2/c1-5-6-7-8-9-12(2)13(3)15(4)11-10-14/h6-11H,2-3,5,14H2,1,4H3/b7-6-,9-8-,11-10-
InChIKeyPWOKQCDSLXGXTN-HAQUHOBPSA-N
XLogP2.94
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.32
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-N'-methyl-N'-[(4Z,6Z)-3-methylidenenona-1,4,6-trien-2-yl]ethene-1,2-diamine?
The IUPAC name of (Z)-N'-methyl-N'-[(4Z,6Z)-3-methylidenenona-1,4,6-trien-2-yl]ethene-1,2-diamine (CID 89064931) is (Z)-N'-methyl-N'-[(4Z,6Z)-3-methylidenenona-1,4,6-trien-2-yl]ethene-1,2-diamine.
What is the SMILES notation for (Z)-N'-methyl-N'-[(4Z,6Z)-3-methylidenenona-1,4,6-trien-2-yl]ethene-1,2-diamine?
The canonical SMILES for (Z)-N'-methyl-N'-[(4Z,6Z)-3-methylidenenona-1,4,6-trien-2-yl]ethene-1,2-diamine is C=C(/C=C\C=C/CC)C(=C)N(C)/C=C\N.
What is the InChIKey of (Z)-N'-methyl-N'-[(4Z,6Z)-3-methylidenenona-1,4,6-trien-2-yl]ethene-1,2-diamine?
The InChIKey is PWOKQCDSLXGXTN-HAQUHOBPSA-N. The full InChI is InChI=1S/C13H20N2/c1-5-6-7-8-9-12(2)13(3)15(4)11-10-14/h6-11H,2-3,5,14H2,1,4H3/b7-6-,9-8-,11-10-.
What are the key properties of (Z)-N'-methyl-N'-[(4Z,6Z)-3-methylidenenona-1,4,6-trien-2-yl]ethene-1,2-diamine?
(Z)-N'-methyl-N'-[(4Z,6Z)-3-methylidenenona-1,4,6-trien-2-yl]ethene-1,2-diamine has a molecular weight of 204.32 g/mol, XLogP of 2.94, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N'-methyl-N'-[(4Z,6Z)-3-methylidenenona-1,4,6-trien-2-yl]ethene-1,2-diamine is sourced from PubChem (CID 89064931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).