N'-[2-[2-(dimethylamino)ethylamino]ethyl]-N'-methylethane-1,2-diamine

C9H24N4 — CID 134394080

IUPACN'-[2-[2-(dimethylamino)ethylamino]ethyl]-N'-methylethane-1,2-diamine
SMILESCN(C)CCNCCN(C)CCN
InChIInChI=1S/C9H24N4/c1-12(2)8-5-11-6-9-13(3)7-4-10/h11H,4-10H2,1-3H3
InChIKeyIDRNWHNYQMPHLB-UHFFFAOYSA-N
MW188.32 g/mol
LogP-0.97
Rot. Bonds8

About N'-[2-[2-(dimethylamino)ethylamino]ethyl]-N'-methylethane-1,2-diamine

N'-[2-[2-(dimethylamino)ethylamino]ethyl]-N'-methylethane-1,2-diamine (PubChem CID 134394080) has the molecular formula C9H24N4 and a molecular weight of 188.32 g/mol. Its IUPAC name is N'-[2-[2-(dimethylamino)ethylamino]ethyl]-N'-methylethane-1,2-diamine.

Molecular Properties

Compound NameN'-[2-[2-(dimethylamino)ethylamino]ethyl]-N'-methylethane-1,2-diamine
PubChem CID134394080
Molecular FormulaC9H24N4
Molecular Weight188.32 g/mol
Exact Mass188.20
IUPAC NameN'-[2-[2-(dimethylamino)ethylamino]ethyl]-N'-methylethane-1,2-diamine
SMILESCN(C)CCNCCN(C)CCN
InChIInChI=1S/C9H24N4/c1-12(2)8-5-11-6-9-13(3)7-4-10/h11H,4-10H2,1-3H3
InChIKeyIDRNWHNYQMPHLB-UHFFFAOYSA-N
XLogP-0.97
TPSA44.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.32
LogP ≤ 5-0.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N'-[2-[2-(dimethylamino)ethyl-methylamino]ethyl]-N'-methylethane-1,2-diamine;N'-[2-(dimethylamino)ethyl]-N'-methylethane-1,2-diamine
CID 23499637
N',N'-dimethyl-N-[2-[methyl(2-methylsulfanylethyl)amino]ethyl]ethane-1,2-diamine
CID 112666040
N'-[2-[2-[methyl(propyl)amino]ethylamino]ethyl]ethane-1,2-diamine
CID 154558458
N'-methyl-N'-[2-[propyl-[2-(propylamino)ethyl]amino]ethyl]ethane-1,2-diamine
CID 169021905
2-(2-aminoethylamino)ethyl-[2-[2-(dimethylamino)ethylamino]ethyl]-dimethylazanium
CID 18322616
N-[2-[3-methoxypropyl(methyl)amino]ethyl]-N',N'-dimethylethane-1,2-diamine
CID 63007801
N'-[2-[3-(azetidin-1-yl)propyl-methylamino]ethyl]ethane-1,2-diamine
CID 143661106
N'-methyl-N'-[2-(2-piperazin-1-ylethylamino)ethyl]ethane-1,2-diamine;molecular hydrogen
CID 143986937
N',N'-dimethyl-N-propylethane-1,2-diamine;ethane
CID 134080811
N'-[2-[2-(2-aminoethylamino)ethylamino]ethyl]ethane-1,2-diamine;N'-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine;N'-(2-aminoethyl)ethane-1,2-diamine;bis(N',N'-dimethylpropane-1,3-diamine);ethane-1,2-diamine
CID 157170431
N',N'-dimethyl-N-[2-[methyl(pentyl)amino]ethyl]propane-1,3-diamine
CID 62560197
N-(3-aminopropyl)-N',N'-dimethylhexane-1,6-diamine
CID 23461237

Frequently Asked Questions

What is the IUPAC name of N'-[2-[2-(dimethylamino)ethylamino]ethyl]-N'-methylethane-1,2-diamine?
The IUPAC name of N'-[2-[2-(dimethylamino)ethylamino]ethyl]-N'-methylethane-1,2-diamine (CID 134394080) is N'-[2-[2-(dimethylamino)ethylamino]ethyl]-N'-methylethane-1,2-diamine.
What is the SMILES notation for N'-[2-[2-(dimethylamino)ethylamino]ethyl]-N'-methylethane-1,2-diamine?
The canonical SMILES for N'-[2-[2-(dimethylamino)ethylamino]ethyl]-N'-methylethane-1,2-diamine is CN(C)CCNCCN(C)CCN.
What is the InChIKey of N'-[2-[2-(dimethylamino)ethylamino]ethyl]-N'-methylethane-1,2-diamine?
The InChIKey is IDRNWHNYQMPHLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H24N4/c1-12(2)8-5-11-6-9-13(3)7-4-10/h11H,4-10H2,1-3H3.
What are the key properties of N'-[2-[2-(dimethylamino)ethylamino]ethyl]-N'-methylethane-1,2-diamine?
N'-[2-[2-(dimethylamino)ethylamino]ethyl]-N'-methylethane-1,2-diamine has a molecular weight of 188.32 g/mol, XLogP of -0.97, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-[2-(dimethylamino)ethylamino]ethyl]-N'-methylethane-1,2-diamine is sourced from PubChem (CID 134394080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).