N'-[(1E,3Z)-hexa-1,3,5-trienyl]-N'-methylmethanediamine

C8H14N2 — CID 118121074

IUPACN'-[(1E,3Z)-hexa-1,3,5-trienyl]-N'-methylmethanediamine
SMILESC=C/C=C\C=C\N(C)CN
InChIInChI=1S/C8H14N2/c1-3-4-5-6-7-10(2)8-9/h3-7H,1,8-9H2,2H3/b5-4-,7-6+
InChIKeyALWXADPQGBVLSO-SCFJQAPRSA-N
MW138.21 g/mol
LogP1.09
Rot. Bonds4

About N'-[(1E,3Z)-hexa-1,3,5-trienyl]-N'-methylmethanediamine

N'-[(1E,3Z)-hexa-1,3,5-trienyl]-N'-methylmethanediamine (PubChem CID 118121074) has the molecular formula C8H14N2 and a molecular weight of 138.21 g/mol. Its IUPAC name is N'-[(1E,3Z)-hexa-1,3,5-trienyl]-N'-methylmethanediamine.

Molecular Properties

Compound NameN'-[(1E,3Z)-hexa-1,3,5-trienyl]-N'-methylmethanediamine
PubChem CID118121074
Molecular FormulaC8H14N2
Molecular Weight138.21 g/mol
Exact Mass138.12
IUPAC NameN'-[(1E,3Z)-hexa-1,3,5-trienyl]-N'-methylmethanediamine
SMILESC=C/C=C\C=C\N(C)CN
InChIInChI=1S/C8H14N2/c1-3-4-5-6-7-10(2)8-9/h3-7H,1,8-9H2,2H3/b5-4-,7-6+
InChIKeyALWXADPQGBVLSO-SCFJQAPRSA-N
XLogP1.09
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.21
LogP ≤ 51.09
H-Bond Donors ≤ 51
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'-[(1E,3Z)-hexa-1,3,5-trienyl]-N'-methylmethanediamine?
The IUPAC name of N'-[(1E,3Z)-hexa-1,3,5-trienyl]-N'-methylmethanediamine (CID 118121074) is N'-[(1E,3Z)-hexa-1,3,5-trienyl]-N'-methylmethanediamine.
What is the SMILES notation for N'-[(1E,3Z)-hexa-1,3,5-trienyl]-N'-methylmethanediamine?
The canonical SMILES for N'-[(1E,3Z)-hexa-1,3,5-trienyl]-N'-methylmethanediamine is C=C/C=C\C=C\N(C)CN.
What is the InChIKey of N'-[(1E,3Z)-hexa-1,3,5-trienyl]-N'-methylmethanediamine?
The InChIKey is ALWXADPQGBVLSO-SCFJQAPRSA-N. The full InChI is InChI=1S/C8H14N2/c1-3-4-5-6-7-10(2)8-9/h3-7H,1,8-9H2,2H3/b5-4-,7-6+.
What are the key properties of N'-[(1E,3Z)-hexa-1,3,5-trienyl]-N'-methylmethanediamine?
N'-[(1E,3Z)-hexa-1,3,5-trienyl]-N'-methylmethanediamine has a molecular weight of 138.21 g/mol, XLogP of 1.09, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(1E,3Z)-hexa-1,3,5-trienyl]-N'-methylmethanediamine is sourced from PubChem (CID 118121074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).