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

C20H44N6 — CID 72671835

IUPACN'-[2-[2-[2-[2-(3,7-dimethylocta-2,6-dienylamino)ethylamino]ethylamino]ethylamino]ethyl]ethane-1,2-diamine
SMILESCC(C)=CCCC(C)=CCNCCNCCNCCNCCNCCN
InChIInChI=1S/C20H44N6/c1-19(2)5-4-6-20(3)7-9-22-11-13-24-15-17-26-18-16-25-14-12-23-10-8-21/h5,7,22-26H,4,6,8-18,21H2,1-3H3
InChIKeyLWVGSSQNLIDBNT-UHFFFAOYSA-N
MW368.61 g/mol
LogP0.59
Rot. Bonds19

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

N'-[2-[2-[2-[2-(3,7-dimethylocta-2,6-dienylamino)ethylamino]ethylamino]ethylamino]ethyl]ethane-1,2-diamine (PubChem CID 72671835) has the molecular formula C20H44N6 and a molecular weight of 368.61 g/mol. Its IUPAC name is N'-[2-[2-[2-[2-(3,7-dimethylocta-2,6-dienylamino)ethylamino]ethylamino]ethylamino]ethyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-[2-[2-[2-[2-(3,7-dimethylocta-2,6-dienylamino)ethylamino]ethylamino]ethylamino]ethyl]ethane-1,2-diamine
PubChem CID72671835
Molecular FormulaC20H44N6
Molecular Weight368.61 g/mol
Exact Mass368.36
IUPAC NameN'-[2-[2-[2-[2-(3,7-dimethylocta-2,6-dienylamino)ethylamino]ethylamino]ethylamino]ethyl]ethane-1,2-diamine
SMILESCC(C)=CCCC(C)=CCNCCNCCNCCNCCNCCN
InChIInChI=1S/C20H44N6/c1-19(2)5-4-6-20(3)7-9-22-11-13-24-15-17-26-18-16-25-14-12-23-10-8-21/h5,7,22-26H,4,6,8-18,21H2,1-3H3
InChIKeyLWVGSSQNLIDBNT-UHFFFAOYSA-N
XLogP0.59
TPSA86.17 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds19
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.61
LogP ≤ 50.59
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-[2-[2-[2-[2-(3,7-dimethylocta-2,6-dienylamino)ethylamino]ethylamino]ethylamino]ethyl]ethane-1,2-diamine?
The IUPAC name of N'-[2-[2-[2-[2-(3,7-dimethylocta-2,6-dienylamino)ethylamino]ethylamino]ethylamino]ethyl]ethane-1,2-diamine (CID 72671835) is N'-[2-[2-[2-[2-(3,7-dimethylocta-2,6-dienylamino)ethylamino]ethylamino]ethylamino]ethyl]ethane-1,2-diamine.
What is the SMILES notation for N'-[2-[2-[2-[2-(3,7-dimethylocta-2,6-dienylamino)ethylamino]ethylamino]ethylamino]ethyl]ethane-1,2-diamine?
The canonical SMILES for N'-[2-[2-[2-[2-(3,7-dimethylocta-2,6-dienylamino)ethylamino]ethylamino]ethylamino]ethyl]ethane-1,2-diamine is CC(C)=CCCC(C)=CCNCCNCCNCCNCCNCCN.
What is the InChIKey of N'-[2-[2-[2-[2-(3,7-dimethylocta-2,6-dienylamino)ethylamino]ethylamino]ethylamino]ethyl]ethane-1,2-diamine?
The InChIKey is LWVGSSQNLIDBNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H44N6/c1-19(2)5-4-6-20(3)7-9-22-11-13-24-15-17-26-18-16-25-14-12-23-10-8-21/h5,7,22-26H,4,6,8-18,21H2,1-3H3.
What are the key properties of N'-[2-[2-[2-[2-(3,7-dimethylocta-2,6-dienylamino)ethylamino]ethylamino]ethylamino]ethyl]ethane-1,2-diamine?
N'-[2-[2-[2-[2-(3,7-dimethylocta-2,6-dienylamino)ethylamino]ethylamino]ethylamino]ethyl]ethane-1,2-diamine has a molecular weight of 368.61 g/mol, XLogP of 0.59, 19 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-[2-[2-[2-(3,7-dimethylocta-2,6-dienylamino)ethylamino]ethylamino]ethylamino]ethyl]ethane-1,2-diamine is sourced from PubChem (CID 72671835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).