N'-(2-aminoethyl)-N'-[2-(methylamino)ethyl]ethane-1,2-diamine;methane

C13H44N4 — CID 161159792

IUPACN'-(2-aminoethyl)-N'-[2-(methylamino)ethyl]ethane-1,2-diamine;methane
SMILESC.C.C.C.C.C.CNCCN(CCN)CCN
InChIInChI=1S/C7H20N4.6CH4/c1-10-4-7-11(5-2-8)6-3-9;;;;;;/h10H,2-9H2,1H3;6*1H4
InChIKeyUPTSKXYRFSNPLZ-UHFFFAOYSA-N
MW256.52 g/mol
LogP2.24
Rot. Bonds7

About N'-(2-aminoethyl)-N'-[2-(methylamino)ethyl]ethane-1,2-diamine;methane

N'-(2-aminoethyl)-N'-[2-(methylamino)ethyl]ethane-1,2-diamine;methane (PubChem CID 161159792) has the molecular formula C13H44N4 and a molecular weight of 256.52 g/mol. Its IUPAC name is N'-(2-aminoethyl)-N'-[2-(methylamino)ethyl]ethane-1,2-diamine;methane.

Molecular Properties

Compound NameN'-(2-aminoethyl)-N'-[2-(methylamino)ethyl]ethane-1,2-diamine;methane
PubChem CID161159792
Molecular FormulaC13H44N4
Molecular Weight256.52 g/mol
Exact Mass256.36
IUPAC NameN'-(2-aminoethyl)-N'-[2-(methylamino)ethyl]ethane-1,2-diamine;methane
SMILESC.C.C.C.C.C.CNCCN(CCN)CCN
InChIInChI=1S/C7H20N4.6CH4/c1-10-4-7-11(5-2-8)6-3-9;;;;;;/h10H,2-9H2,1H3;6*1H4
InChIKeyUPTSKXYRFSNPLZ-UHFFFAOYSA-N
XLogP2.24
TPSA67.31 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.52
LogP ≤ 52.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N'-(2-aminoethyl)-N'-[2-(methylamino)ethyl]ethane-1,2-diamine;methane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N'-[2-[2-[2-[2-aminoethyl-[2-(methylamino)ethyl]amino]ethylamino]ethyl-[2-(methylamino)ethyl]amino]ethyl]ethane-1,2-diamine
CID 146523021
N',N'-bis(2-aminoethyl)ethane-1,2-diamine;ethane;N-methylmethanamine
CID 163255552
N'-[2-[2-[2-aminoethyl-[2-(ethylamino)ethyl]amino]ethyl-[2-[2-[bis(2-aminoethyl)amino]ethyl-[2-(methylamino)ethyl]amino]ethyl]amino]ethyl]ethane-1,2-diamine
CID 145374595
N'-[2-[2-[2-aminoethyl(butyl)amino]ethyl-[2-[2-[bis(2-aminoethyl)amino]ethyl-[2-(methylamino)ethyl]amino]ethyl]amino]ethyl]ethane-1,2-diamine
CID 159788489
N'-[2-[bis[2-(methylamino)ethyl]amino]ethyl]-N-methylethane-1,2-diamine
CID 20736880
N'-(2-aminoethyl)-N'-[2-(tert-butylamino)ethyl]ethane-1,2-diamine
CID 164940273
N-(2-aminoethyl)-N'-[2-(2-aminoethylamino)ethyl]-N'-[2-[2-[bis(2-aminoethyl)amino]ethyl-[2-(methylamino)ethyl]amino]ethyl]-N-ethylbutane-1,4-diamine;N'-[2-[2-[2-aminoethyl(butyl)amino]ethyl-[2-[2-[2-aminoethyl(propyl)amino]ethyl-[2-(methylamino)ethyl]amino]ethyl]amino]ethyl]ethane-1,2-diamine
CID 159625881
N',N'-diethyl-N-methylethane-1,2-diamine;ethane
CID 142004273
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
1-[2-[2-aminoethyl-[2-(methylamino)ethyl]amino]ethyl-(2-hydroxy-3-methyltridecyl)amino]-3-methyltridecan-2-ol
CID 59630636
N'-(2-aminoethyl)-N'-[2-(ethylamino)ethyl]ethane-1,2-diamine;N'-[2-(ethylamino)ethyl]ethane-1,2-diamine
CID 160516992
N-[2-[2-[2-[2-[2-aminoethyl-[2-(2-aminoethylamino)ethyl]amino]ethyl-[2-(methylamino)ethyl]amino]ethyl-chloroamino]ethyl-[2-(methylamino)ethyl]amino]ethyl]propanamide
CID 146519254

Frequently Asked Questions

What is the IUPAC name of N'-(2-aminoethyl)-N'-[2-(methylamino)ethyl]ethane-1,2-diamine;methane?
The IUPAC name of N'-(2-aminoethyl)-N'-[2-(methylamino)ethyl]ethane-1,2-diamine;methane (CID 161159792) is N'-(2-aminoethyl)-N'-[2-(methylamino)ethyl]ethane-1,2-diamine;methane.
What is the SMILES notation for N'-(2-aminoethyl)-N'-[2-(methylamino)ethyl]ethane-1,2-diamine;methane?
The canonical SMILES for N'-(2-aminoethyl)-N'-[2-(methylamino)ethyl]ethane-1,2-diamine;methane is C.C.C.C.C.C.CNCCN(CCN)CCN.
What is the InChIKey of N'-(2-aminoethyl)-N'-[2-(methylamino)ethyl]ethane-1,2-diamine;methane?
The InChIKey is UPTSKXYRFSNPLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H20N4.6CH4/c1-10-4-7-11(5-2-8)6-3-9;;;;;;/h10H,2-9H2,1H3;6*1H4.
What are the key properties of N'-(2-aminoethyl)-N'-[2-(methylamino)ethyl]ethane-1,2-diamine;methane?
N'-(2-aminoethyl)-N'-[2-(methylamino)ethyl]ethane-1,2-diamine;methane has a molecular weight of 256.52 g/mol, XLogP of 2.24, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-aminoethyl)-N'-[2-(methylamino)ethyl]ethane-1,2-diamine;methane is sourced from PubChem (CID 161159792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).