(1E,3E)-N-methyl-N'-[(2E)-4-methylidenehexa-2,5-dien-3-yl]buta-1,3-diene-1,4-diamine

C12H18N2 — CID 118186753

IUPAC(1E,3E)-N-methyl-N'-[(2E)-4-methylidenehexa-2,5-dien-3-yl]buta-1,3-diene-1,4-diamine
SMILESC=CC(=C)/C(=C\C)N/C=C/C=C/NC
InChIInChI=1S/C12H18N2/c1-5-11(3)12(6-2)14-10-8-7-9-13-4/h5-10,13-14H,1,3H2,2,4H3/b9-7+,10-8+,12-6+
InChIKeyMMGNHHZKYZCCOZ-VEAKRQNZSA-N
MW190.29 g/mol
LogP2.47
Rot. Bonds6

About (1E,3E)-N-methyl-N'-[(2E)-4-methylidenehexa-2,5-dien-3-yl]buta-1,3-diene-1,4-diamine

(1E,3E)-N-methyl-N'-[(2E)-4-methylidenehexa-2,5-dien-3-yl]buta-1,3-diene-1,4-diamine (PubChem CID 118186753) has the molecular formula C12H18N2 and a molecular weight of 190.29 g/mol. Its IUPAC name is (1E,3E)-N-methyl-N'-[(2E)-4-methylidenehexa-2,5-dien-3-yl]buta-1,3-diene-1,4-diamine.

Molecular Properties

Compound Name(1E,3E)-N-methyl-N'-[(2E)-4-methylidenehexa-2,5-dien-3-yl]buta-1,3-diene-1,4-diamine
PubChem CID118186753
Molecular FormulaC12H18N2
Molecular Weight190.29 g/mol
Exact Mass190.15
IUPAC Name(1E,3E)-N-methyl-N'-[(2E)-4-methylidenehexa-2,5-dien-3-yl]buta-1,3-diene-1,4-diamine
SMILESC=CC(=C)/C(=C\C)N/C=C/C=C/NC
InChIInChI=1S/C12H18N2/c1-5-11(3)12(6-2)14-10-8-7-9-13-4/h5-10,13-14H,1,3H2,2,4H3/b9-7+,10-8+,12-6+
InChIKeyMMGNHHZKYZCCOZ-VEAKRQNZSA-N
XLogP2.47
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 52.47
H-Bond Donors ≤ 52
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 (1E,3E)-N-methyl-N'-[(2E)-4-methylidenehexa-2,5-dien-3-yl]buta-1,3-diene-1,4-diamine?
The IUPAC name of (1E,3E)-N-methyl-N'-[(2E)-4-methylidenehexa-2,5-dien-3-yl]buta-1,3-diene-1,4-diamine (CID 118186753) is (1E,3E)-N-methyl-N'-[(2E)-4-methylidenehexa-2,5-dien-3-yl]buta-1,3-diene-1,4-diamine.
What is the SMILES notation for (1E,3E)-N-methyl-N'-[(2E)-4-methylidenehexa-2,5-dien-3-yl]buta-1,3-diene-1,4-diamine?
The canonical SMILES for (1E,3E)-N-methyl-N'-[(2E)-4-methylidenehexa-2,5-dien-3-yl]buta-1,3-diene-1,4-diamine is C=CC(=C)/C(=C\C)N/C=C/C=C/NC.
What is the InChIKey of (1E,3E)-N-methyl-N'-[(2E)-4-methylidenehexa-2,5-dien-3-yl]buta-1,3-diene-1,4-diamine?
The InChIKey is MMGNHHZKYZCCOZ-VEAKRQNZSA-N. The full InChI is InChI=1S/C12H18N2/c1-5-11(3)12(6-2)14-10-8-7-9-13-4/h5-10,13-14H,1,3H2,2,4H3/b9-7+,10-8+,12-6+.
What are the key properties of (1E,3E)-N-methyl-N'-[(2E)-4-methylidenehexa-2,5-dien-3-yl]buta-1,3-diene-1,4-diamine?
(1E,3E)-N-methyl-N'-[(2E)-4-methylidenehexa-2,5-dien-3-yl]buta-1,3-diene-1,4-diamine has a molecular weight of 190.29 g/mol, XLogP of 2.47, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1E,3E)-N-methyl-N'-[(2E)-4-methylidenehexa-2,5-dien-3-yl]buta-1,3-diene-1,4-diamine is sourced from PubChem (CID 118186753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).