N'-[2-[2-(3,7-dimethylocta-2,6-dienylamino)ethylamino]ethyl]ethane-1,2-diamine

C16H34N4 — CID 72671859

IUPACN'-[2-[2-(3,7-dimethylocta-2,6-dienylamino)ethylamino]ethyl]ethane-1,2-diamine
SMILESCC(C)=CCCC(C)=CCNCCNCCNCCN
InChIInChI=1S/C16H34N4/c1-15(2)5-4-6-16(3)7-9-18-11-13-20-14-12-19-10-8-17/h5,7,18-20H,4,6,8-14,17H2,1-3H3
InChIKeyUKJAGBVXFGKPKX-UHFFFAOYSA-N
MW282.48 g/mol
LogP1.41
Rot. Bonds13

About N'-[2-[2-(3,7-dimethylocta-2,6-dienylamino)ethylamino]ethyl]ethane-1,2-diamine

N'-[2-[2-(3,7-dimethylocta-2,6-dienylamino)ethylamino]ethyl]ethane-1,2-diamine (PubChem CID 72671859) has the molecular formula C16H34N4 and a molecular weight of 282.48 g/mol. Its IUPAC name is N'-[2-[2-(3,7-dimethylocta-2,6-dienylamino)ethylamino]ethyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-[2-[2-(3,7-dimethylocta-2,6-dienylamino)ethylamino]ethyl]ethane-1,2-diamine
PubChem CID72671859
Molecular FormulaC16H34N4
Molecular Weight282.48 g/mol
Exact Mass282.28
IUPAC NameN'-[2-[2-(3,7-dimethylocta-2,6-dienylamino)ethylamino]ethyl]ethane-1,2-diamine
SMILESCC(C)=CCCC(C)=CCNCCNCCNCCN
InChIInChI=1S/C16H34N4/c1-15(2)5-4-6-16(3)7-9-18-11-13-20-14-12-19-10-8-17/h5,7,18-20H,4,6,8-14,17H2,1-3H3
InChIKeyUKJAGBVXFGKPKX-UHFFFAOYSA-N
XLogP1.41
TPSA62.11 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.48
LogP ≤ 51.41
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N'-[2-[2-(3,7-dimethylocta-2,6-dienylamino)ethylamino]ethyl]ethane-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'-[2-[2-(3,7-dimethylocta-2,6-dienylamino)ethylamino]ethyl]ethane-1,2-diamine?
The IUPAC name of N'-[2-[2-(3,7-dimethylocta-2,6-dienylamino)ethylamino]ethyl]ethane-1,2-diamine (CID 72671859) is N'-[2-[2-(3,7-dimethylocta-2,6-dienylamino)ethylamino]ethyl]ethane-1,2-diamine.
What is the SMILES notation for N'-[2-[2-(3,7-dimethylocta-2,6-dienylamino)ethylamino]ethyl]ethane-1,2-diamine?
The canonical SMILES for N'-[2-[2-(3,7-dimethylocta-2,6-dienylamino)ethylamino]ethyl]ethane-1,2-diamine is CC(C)=CCCC(C)=CCNCCNCCNCCN.
What is the InChIKey of N'-[2-[2-(3,7-dimethylocta-2,6-dienylamino)ethylamino]ethyl]ethane-1,2-diamine?
The InChIKey is UKJAGBVXFGKPKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N4/c1-15(2)5-4-6-16(3)7-9-18-11-13-20-14-12-19-10-8-17/h5,7,18-20H,4,6,8-14,17H2,1-3H3.
What are the key properties of N'-[2-[2-(3,7-dimethylocta-2,6-dienylamino)ethylamino]ethyl]ethane-1,2-diamine?
N'-[2-[2-(3,7-dimethylocta-2,6-dienylamino)ethylamino]ethyl]ethane-1,2-diamine has a molecular weight of 282.48 g/mol, XLogP of 1.41, 13 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-[2-(3,7-dimethylocta-2,6-dienylamino)ethylamino]ethyl]ethane-1,2-diamine is sourced from PubChem (CID 72671859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).