N'-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine;N,N,N',N'-tetraethylethane-1,2-diamine

C16H42N6 — CID 87350577

IUPACN'-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine;N,N,N',N'-tetraethylethane-1,2-diamine
SMILESCCN(CC)CCN(CC)CC.NCCNCCNCCN
InChIInChI=1S/C10H24N2.C6H18N4/c1-5-11(6-2)9-10-12(7-3)8-4;7-1-3-9-5-6-10-4-2-8/h5-10H2,1-4H3;9-10H,1-8H2
InChIKeyNATIOJGOABIBFG-UHFFFAOYSA-N
MW318.55 g/mol
LogP-0.25
Rot. Bonds14

About N'-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine;N,N,N',N'-tetraethylethane-1,2-diamine

N'-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine;N,N,N',N'-tetraethylethane-1,2-diamine (PubChem CID 87350577) has the molecular formula C16H42N6 and a molecular weight of 318.55 g/mol. Its IUPAC name is N'-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine;N,N,N',N'-tetraethylethane-1,2-diamine.

Molecular Properties

Compound NameN'-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine;N,N,N',N'-tetraethylethane-1,2-diamine
PubChem CID87350577
Molecular FormulaC16H42N6
Molecular Weight318.55 g/mol
Exact Mass318.35
IUPAC NameN'-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine;N,N,N',N'-tetraethylethane-1,2-diamine
SMILESCCN(CC)CCN(CC)CC.NCCNCCNCCN
InChIInChI=1S/C10H24N2.C6H18N4/c1-5-11(6-2)9-10-12(7-3)8-4;7-1-3-9-5-6-10-4-2-8/h5-10H2,1-4H3;9-10H,1-8H2
InChIKeyNATIOJGOABIBFG-UHFFFAOYSA-N
XLogP-0.25
TPSA82.58 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds14
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.55
LogP ≤ 5-0.25
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-[3-(2-aminoethylamino)propyl-ethylamino]ethanol
CID 143093735
N-[2-[2-[2-(2-aminoethylamino)ethylamino]ethylamino]ethyl]-3-[2-[[3-[2-[2-[2-(2-aminoethylamino)ethylamino]ethylamino]ethylamino]-3-oxopropyl]-[2-[[3-[2-[2-[2-(2-aminoethylamino)ethylamino]ethylamino]ethylamino]-3-oxopropyl]-[2-[[3-[2-[2-[2-(2-aminoethylamino)ethylamino]ethylamino]ethylamino]-3-oxopropyl]-ethylamino]ethyl]amino]ethyl]amino]ethyl-ethylamino]propanamide
CID 132559980
N'-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine
CID 5565
N'-[2-[2-[2-(2-aminoethylamino)ethylamino]ethylamino]ethyl]ethane-1,2-diamine;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
CID 159410169
N'-(2-aminoethyl)-N'-[2-(ethylamino)ethyl]ethane-1,2-diamine;N'-[2-(ethylamino)ethyl]ethane-1,2-diamine
CID 160516992
N'-(2-aminoethyl)-N'-[2-(diethylamino)ethyl]ethane-1,2-diamine
CID 107912667
N'-[2-[2-aminoethyl-[2-[2-[2-(2-aminoethylamino)ethyl-[2-[bis(2-aminoethyl)amino]ethyl]amino]ethylamino]ethyl]amino]ethyl]ethane-1,2-diamine
CID 171053693
N-[5-(diethylamino)pentyl]-N',N'-diethylpentane-1,5-diamine
CID 23131522
N'-ethyl-N'-[3-(propylamino)propyl]propane-1,3-diamine
CID 20833349
N'-[2-(dibutylamino)ethyl]ethane-1,2-diamine
CID 54322779
N'-(2-aminoethyl)ethane-1,2-diamine;N,N-dioctyloctan-1-amine
CID 19864694
N'-[2-[2-[2-(2-aminoethylamino)ethylamino]ethylamino]ethyl]ethane-1,2-diamine;pentahydrochloride
CID 10150970

Frequently Asked Questions

What is the IUPAC name of N'-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine;N,N,N',N'-tetraethylethane-1,2-diamine?
The IUPAC name of N'-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine;N,N,N',N'-tetraethylethane-1,2-diamine (CID 87350577) is N'-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine;N,N,N',N'-tetraethylethane-1,2-diamine.
What is the SMILES notation for N'-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine;N,N,N',N'-tetraethylethane-1,2-diamine?
The canonical SMILES for N'-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine;N,N,N',N'-tetraethylethane-1,2-diamine is CCN(CC)CCN(CC)CC.NCCNCCNCCN.
What is the InChIKey of N'-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine;N,N,N',N'-tetraethylethane-1,2-diamine?
The InChIKey is NATIOJGOABIBFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H24N2.C6H18N4/c1-5-11(6-2)9-10-12(7-3)8-4;7-1-3-9-5-6-10-4-2-8/h5-10H2,1-4H3;9-10H,1-8H2.
What are the key properties of N'-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine;N,N,N',N'-tetraethylethane-1,2-diamine?
N'-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine;N,N,N',N'-tetraethylethane-1,2-diamine has a molecular weight of 318.55 g/mol, XLogP of -0.25, 14 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine;N,N,N',N'-tetraethylethane-1,2-diamine is sourced from PubChem (CID 87350577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).