N'-methyl-N'-[(2Z,4Z)-octa-2,4-dien-4-yl]methanediamine

C10H20N2 — CID 167138374

IUPACN'-methyl-N'-[(2Z,4Z)-octa-2,4-dien-4-yl]methanediamine
SMILESC/C=C\C(=C\CCC)N(C)CN
InChIInChI=1S/C10H20N2/c1-4-6-8-10(7-5-2)12(3)9-11/h5,7-8H,4,6,9,11H2,1-3H3/b7-5-,10-8-
InChIKeyJRGBALNZDILISZ-RRMOSLQNSA-N
MW168.28 g/mol
LogP2.09
Rot. Bonds5

About N'-methyl-N'-[(2Z,4Z)-octa-2,4-dien-4-yl]methanediamine

N'-methyl-N'-[(2Z,4Z)-octa-2,4-dien-4-yl]methanediamine (PubChem CID 167138374) has the molecular formula C10H20N2 and a molecular weight of 168.28 g/mol. Its IUPAC name is N'-methyl-N'-[(2Z,4Z)-octa-2,4-dien-4-yl]methanediamine.

Molecular Properties

Compound NameN'-methyl-N'-[(2Z,4Z)-octa-2,4-dien-4-yl]methanediamine
PubChem CID167138374
Molecular FormulaC10H20N2
Molecular Weight168.28 g/mol
Exact Mass168.16
IUPAC NameN'-methyl-N'-[(2Z,4Z)-octa-2,4-dien-4-yl]methanediamine
SMILESC/C=C\C(=C\CCC)N(C)CN
InChIInChI=1S/C10H20N2/c1-4-6-8-10(7-5-2)12(3)9-11/h5,7-8H,4,6,9,11H2,1-3H3/b7-5-,10-8-
InChIKeyJRGBALNZDILISZ-RRMOSLQNSA-N
XLogP2.09
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 52.09
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'-methyl-N'-[(2Z,4Z)-octa-2,4-dien-4-yl]methanediamine?
The IUPAC name of N'-methyl-N'-[(2Z,4Z)-octa-2,4-dien-4-yl]methanediamine (CID 167138374) is N'-methyl-N'-[(2Z,4Z)-octa-2,4-dien-4-yl]methanediamine.
What is the SMILES notation for N'-methyl-N'-[(2Z,4Z)-octa-2,4-dien-4-yl]methanediamine?
The canonical SMILES for N'-methyl-N'-[(2Z,4Z)-octa-2,4-dien-4-yl]methanediamine is C/C=C\C(=C\CCC)N(C)CN.
What is the InChIKey of N'-methyl-N'-[(2Z,4Z)-octa-2,4-dien-4-yl]methanediamine?
The InChIKey is JRGBALNZDILISZ-RRMOSLQNSA-N. The full InChI is InChI=1S/C10H20N2/c1-4-6-8-10(7-5-2)12(3)9-11/h5,7-8H,4,6,9,11H2,1-3H3/b7-5-,10-8-.
What are the key properties of N'-methyl-N'-[(2Z,4Z)-octa-2,4-dien-4-yl]methanediamine?
N'-methyl-N'-[(2Z,4Z)-octa-2,4-dien-4-yl]methanediamine has a molecular weight of 168.28 g/mol, XLogP of 2.09, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N'-[(2Z,4Z)-octa-2,4-dien-4-yl]methanediamine is sourced from PubChem (CID 167138374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).