N-methyl-N'-[(2Z)-4-methylpenta-2,4-dienyl]methanediamine

C8H16N2 — CID 121420145

IUPACN-methyl-N'-[(2Z)-4-methylpenta-2,4-dienyl]methanediamine
SMILESC=C(C)/C=C\CNCNC
InChIInChI=1S/C8H16N2/c1-8(2)5-4-6-10-7-9-3/h4-5,9-10H,1,6-7H2,2-3H3/b5-4-
InChIKeyAIQXDFKSXYYXIF-PLNGDYQASA-N
MW140.23 g/mol
LogP0.89
Rot. Bonds5

About N-methyl-N'-[(2Z)-4-methylpenta-2,4-dienyl]methanediamine

N-methyl-N'-[(2Z)-4-methylpenta-2,4-dienyl]methanediamine (PubChem CID 121420145) has the molecular formula C8H16N2 and a molecular weight of 140.23 g/mol. Its IUPAC name is N-methyl-N'-[(2Z)-4-methylpenta-2,4-dienyl]methanediamine.

Molecular Properties

Compound NameN-methyl-N'-[(2Z)-4-methylpenta-2,4-dienyl]methanediamine
PubChem CID121420145
Molecular FormulaC8H16N2
Molecular Weight140.23 g/mol
Exact Mass140.13
IUPAC NameN-methyl-N'-[(2Z)-4-methylpenta-2,4-dienyl]methanediamine
SMILESC=C(C)/C=C\CNCNC
InChIInChI=1S/C8H16N2/c1-8(2)5-4-6-10-7-9-3/h4-5,9-10H,1,6-7H2,2-3H3/b5-4-
InChIKeyAIQXDFKSXYYXIF-PLNGDYQASA-N
XLogP0.89
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.23
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-methyl-N'-[(2Z)-4-methylpenta-2,4-dienyl]methanediamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-methyl-N'-[(2Z)-4-methylpenta-2,4-dienyl]methanediamine?
The IUPAC name of N-methyl-N'-[(2Z)-4-methylpenta-2,4-dienyl]methanediamine (CID 121420145) is N-methyl-N'-[(2Z)-4-methylpenta-2,4-dienyl]methanediamine.
What is the SMILES notation for N-methyl-N'-[(2Z)-4-methylpenta-2,4-dienyl]methanediamine?
The canonical SMILES for N-methyl-N'-[(2Z)-4-methylpenta-2,4-dienyl]methanediamine is C=C(C)/C=C\CNCNC.
What is the InChIKey of N-methyl-N'-[(2Z)-4-methylpenta-2,4-dienyl]methanediamine?
The InChIKey is AIQXDFKSXYYXIF-PLNGDYQASA-N. The full InChI is InChI=1S/C8H16N2/c1-8(2)5-4-6-10-7-9-3/h4-5,9-10H,1,6-7H2,2-3H3/b5-4-.
What are the key properties of N-methyl-N'-[(2Z)-4-methylpenta-2,4-dienyl]methanediamine?
N-methyl-N'-[(2Z)-4-methylpenta-2,4-dienyl]methanediamine has a molecular weight of 140.23 g/mol, XLogP of 0.89, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N'-[(2Z)-4-methylpenta-2,4-dienyl]methanediamine is sourced from PubChem (CID 121420145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).