N'-[(2E,4Z)-5,7-dimethylocta-2,4,6-trien-2-yl]-N-methylmethanediamine

C12H22N2 — CID 137457735

IUPACN'-[(2E,4Z)-5,7-dimethylocta-2,4,6-trien-2-yl]-N-methylmethanediamine
SMILESCNCN/C(C)=C/C=C(/C)C=C(C)C
InChIInChI=1S/C12H22N2/c1-10(2)8-11(3)6-7-12(4)14-9-13-5/h6-8,13-14H,9H2,1-5H3/b11-6-,12-7+
InChIKeyYRAZRRSRMPUBPU-TWTKIJFOSA-N
MW194.32 g/mol
LogP2.57
Rot. Bonds5

About N'-[(2E,4Z)-5,7-dimethylocta-2,4,6-trien-2-yl]-N-methylmethanediamine

N'-[(2E,4Z)-5,7-dimethylocta-2,4,6-trien-2-yl]-N-methylmethanediamine (PubChem CID 137457735) has the molecular formula C12H22N2 and a molecular weight of 194.32 g/mol. Its IUPAC name is N'-[(2E,4Z)-5,7-dimethylocta-2,4,6-trien-2-yl]-N-methylmethanediamine.

Molecular Properties

Compound NameN'-[(2E,4Z)-5,7-dimethylocta-2,4,6-trien-2-yl]-N-methylmethanediamine
PubChem CID137457735
Molecular FormulaC12H22N2
Molecular Weight194.32 g/mol
Exact Mass194.18
IUPAC NameN'-[(2E,4Z)-5,7-dimethylocta-2,4,6-trien-2-yl]-N-methylmethanediamine
SMILESCNCN/C(C)=C/C=C(/C)C=C(C)C
InChIInChI=1S/C12H22N2/c1-10(2)8-11(3)6-7-12(4)14-9-13-5/h6-8,13-14H,9H2,1-5H3/b11-6-,12-7+
InChIKeyYRAZRRSRMPUBPU-TWTKIJFOSA-N
XLogP2.57
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.32
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-[(2E,4Z)-5,7-dimethylocta-2,4,6-trien-2-yl]-N-methylmethanediamine?
The IUPAC name of N'-[(2E,4Z)-5,7-dimethylocta-2,4,6-trien-2-yl]-N-methylmethanediamine (CID 137457735) is N'-[(2E,4Z)-5,7-dimethylocta-2,4,6-trien-2-yl]-N-methylmethanediamine.
What is the SMILES notation for N'-[(2E,4Z)-5,7-dimethylocta-2,4,6-trien-2-yl]-N-methylmethanediamine?
The canonical SMILES for N'-[(2E,4Z)-5,7-dimethylocta-2,4,6-trien-2-yl]-N-methylmethanediamine is CNCN/C(C)=C/C=C(/C)C=C(C)C.
What is the InChIKey of N'-[(2E,4Z)-5,7-dimethylocta-2,4,6-trien-2-yl]-N-methylmethanediamine?
The InChIKey is YRAZRRSRMPUBPU-TWTKIJFOSA-N. The full InChI is InChI=1S/C12H22N2/c1-10(2)8-11(3)6-7-12(4)14-9-13-5/h6-8,13-14H,9H2,1-5H3/b11-6-,12-7+.
What are the key properties of N'-[(2E,4Z)-5,7-dimethylocta-2,4,6-trien-2-yl]-N-methylmethanediamine?
N'-[(2E,4Z)-5,7-dimethylocta-2,4,6-trien-2-yl]-N-methylmethanediamine has a molecular weight of 194.32 g/mol, XLogP of 2.57, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(2E,4Z)-5,7-dimethylocta-2,4,6-trien-2-yl]-N-methylmethanediamine is sourced from PubChem (CID 137457735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).