N'-ethyl-N-methyl-N'-[(3Z,5Z)-5-methylocta-3,5,7-trienyl]methanediamine

C13H24N2 — CID 134525395

IUPACN'-ethyl-N-methyl-N'-[(3Z,5Z)-5-methylocta-3,5,7-trienyl]methanediamine
SMILESC=C/C=C(C)\C=C/CCN(CC)CNC
InChIInChI=1S/C13H24N2/c1-5-9-13(3)10-7-8-11-15(6-2)12-14-4/h5,7,9-10,14H,1,6,8,11-12H2,2-4H3/b10-7-,13-9-
InChIKeyLJICWNIQVVDZAC-PGQZVBALSA-N
MW208.35 g/mol
LogP2.56
Rot. Bonds8

About N'-ethyl-N-methyl-N'-[(3Z,5Z)-5-methylocta-3,5,7-trienyl]methanediamine

N'-ethyl-N-methyl-N'-[(3Z,5Z)-5-methylocta-3,5,7-trienyl]methanediamine (PubChem CID 134525395) has the molecular formula C13H24N2 and a molecular weight of 208.35 g/mol. Its IUPAC name is N'-ethyl-N-methyl-N'-[(3Z,5Z)-5-methylocta-3,5,7-trienyl]methanediamine.

Molecular Properties

Compound NameN'-ethyl-N-methyl-N'-[(3Z,5Z)-5-methylocta-3,5,7-trienyl]methanediamine
PubChem CID134525395
Molecular FormulaC13H24N2
Molecular Weight208.35 g/mol
Exact Mass208.19
IUPAC NameN'-ethyl-N-methyl-N'-[(3Z,5Z)-5-methylocta-3,5,7-trienyl]methanediamine
SMILESC=C/C=C(C)\C=C/CCN(CC)CNC
InChIInChI=1S/C13H24N2/c1-5-9-13(3)10-7-8-11-15(6-2)12-14-4/h5,7,9-10,14H,1,6,8,11-12H2,2-4H3/b10-7-,13-9-
InChIKeyLJICWNIQVVDZAC-PGQZVBALSA-N
XLogP2.56
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.35
LogP ≤ 52.56
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'-ethyl-N-methyl-N'-[(3Z,5Z)-5-methylocta-3,5,7-trienyl]methanediamine?
The IUPAC name of N'-ethyl-N-methyl-N'-[(3Z,5Z)-5-methylocta-3,5,7-trienyl]methanediamine (CID 134525395) is N'-ethyl-N-methyl-N'-[(3Z,5Z)-5-methylocta-3,5,7-trienyl]methanediamine.
What is the SMILES notation for N'-ethyl-N-methyl-N'-[(3Z,5Z)-5-methylocta-3,5,7-trienyl]methanediamine?
The canonical SMILES for N'-ethyl-N-methyl-N'-[(3Z,5Z)-5-methylocta-3,5,7-trienyl]methanediamine is C=C/C=C(C)\C=C/CCN(CC)CNC.
What is the InChIKey of N'-ethyl-N-methyl-N'-[(3Z,5Z)-5-methylocta-3,5,7-trienyl]methanediamine?
The InChIKey is LJICWNIQVVDZAC-PGQZVBALSA-N. The full InChI is InChI=1S/C13H24N2/c1-5-9-13(3)10-7-8-11-15(6-2)12-14-4/h5,7,9-10,14H,1,6,8,11-12H2,2-4H3/b10-7-,13-9-.
What are the key properties of N'-ethyl-N-methyl-N'-[(3Z,5Z)-5-methylocta-3,5,7-trienyl]methanediamine?
N'-ethyl-N-methyl-N'-[(3Z,5Z)-5-methylocta-3,5,7-trienyl]methanediamine has a molecular weight of 208.35 g/mol, XLogP of 2.56, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethyl-N-methyl-N'-[(3Z,5Z)-5-methylocta-3,5,7-trienyl]methanediamine is sourced from PubChem (CID 134525395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).