N'-[(2E,4Z)-2,3-dimethylhepta-2,4-dienyl]-N'-methylethane-1,2-diamine

C12H24N2 — CID 134513859

IUPACN'-[(2E,4Z)-2,3-dimethylhepta-2,4-dienyl]-N'-methylethane-1,2-diamine
SMILESCC/C=C\C(C)=C(/C)CN(C)CCN
InChIInChI=1S/C12H24N2/c1-5-6-7-11(2)12(3)10-14(4)9-8-13/h6-7H,5,8-10,13H2,1-4H3/b7-6-,12-11+
InChIKeyIVGHHFXSZLMKIB-BIXBEFAMSA-N
MW196.34 g/mol
LogP2.18
Rot. Bonds6

About N'-[(2E,4Z)-2,3-dimethylhepta-2,4-dienyl]-N'-methylethane-1,2-diamine

N'-[(2E,4Z)-2,3-dimethylhepta-2,4-dienyl]-N'-methylethane-1,2-diamine (PubChem CID 134513859) has the molecular formula C12H24N2 and a molecular weight of 196.34 g/mol. Its IUPAC name is N'-[(2E,4Z)-2,3-dimethylhepta-2,4-dienyl]-N'-methylethane-1,2-diamine.

Molecular Properties

Compound NameN'-[(2E,4Z)-2,3-dimethylhepta-2,4-dienyl]-N'-methylethane-1,2-diamine
PubChem CID134513859
Molecular FormulaC12H24N2
Molecular Weight196.34 g/mol
Exact Mass196.19
IUPAC NameN'-[(2E,4Z)-2,3-dimethylhepta-2,4-dienyl]-N'-methylethane-1,2-diamine
SMILESCC/C=C\C(C)=C(/C)CN(C)CCN
InChIInChI=1S/C12H24N2/c1-5-6-7-11(2)12(3)10-14(4)9-8-13/h6-7H,5,8-10,13H2,1-4H3/b7-6-,12-11+
InChIKeyIVGHHFXSZLMKIB-BIXBEFAMSA-N
XLogP2.18
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.34
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze N'-[(2E,4Z)-2,3-dimethylhepta-2,4-dienyl]-N'-methylethane-1,2-diamine 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'-[(2E,4Z)-2,3-dimethylhepta-2,4-dienyl]-N'-methylethane-1,2-diamine?
The IUPAC name of N'-[(2E,4Z)-2,3-dimethylhepta-2,4-dienyl]-N'-methylethane-1,2-diamine (CID 134513859) is N'-[(2E,4Z)-2,3-dimethylhepta-2,4-dienyl]-N'-methylethane-1,2-diamine.
What is the SMILES notation for N'-[(2E,4Z)-2,3-dimethylhepta-2,4-dienyl]-N'-methylethane-1,2-diamine?
The canonical SMILES for N'-[(2E,4Z)-2,3-dimethylhepta-2,4-dienyl]-N'-methylethane-1,2-diamine is CC/C=C\C(C)=C(/C)CN(C)CCN.
What is the InChIKey of N'-[(2E,4Z)-2,3-dimethylhepta-2,4-dienyl]-N'-methylethane-1,2-diamine?
The InChIKey is IVGHHFXSZLMKIB-BIXBEFAMSA-N. The full InChI is InChI=1S/C12H24N2/c1-5-6-7-11(2)12(3)10-14(4)9-8-13/h6-7H,5,8-10,13H2,1-4H3/b7-6-,12-11+.
What are the key properties of N'-[(2E,4Z)-2,3-dimethylhepta-2,4-dienyl]-N'-methylethane-1,2-diamine?
N'-[(2E,4Z)-2,3-dimethylhepta-2,4-dienyl]-N'-methylethane-1,2-diamine has a molecular weight of 196.34 g/mol, XLogP of 2.18, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(2E,4Z)-2,3-dimethylhepta-2,4-dienyl]-N'-methylethane-1,2-diamine is sourced from PubChem (CID 134513859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).