N',N'-bis(2-aminoethyl)ethane-1,2-diamine;ethane;N-methylmethanamine

C10H31N5 — CID 163255552

IUPACN',N'-bis(2-aminoethyl)ethane-1,2-diamine;ethane;N-methylmethanamine
SMILESCC.CNC.NCCN(CCN)CCN
InChIInChI=1S/C6H18N4.C2H7N.C2H6/c7-1-4-10(5-2-8)6-3-9;1-3-2;1-2/h1-9H2;3H,1-2H3;1-2H3
InChIKeyMNOXZMROJIJBFN-UHFFFAOYSA-N
MW221.39 g/mol
LogP-0.97
Rot. Bonds6

About N',N'-bis(2-aminoethyl)ethane-1,2-diamine;ethane;N-methylmethanamine

N',N'-bis(2-aminoethyl)ethane-1,2-diamine;ethane;N-methylmethanamine (PubChem CID 163255552) has the molecular formula C10H31N5 and a molecular weight of 221.39 g/mol. Its IUPAC name is N',N'-bis(2-aminoethyl)ethane-1,2-diamine;ethane;N-methylmethanamine.

Molecular Properties

Compound NameN',N'-bis(2-aminoethyl)ethane-1,2-diamine;ethane;N-methylmethanamine
PubChem CID163255552
Molecular FormulaC10H31N5
Molecular Weight221.39 g/mol
Exact Mass221.26
IUPAC NameN',N'-bis(2-aminoethyl)ethane-1,2-diamine;ethane;N-methylmethanamine
SMILESCC.CNC.NCCN(CCN)CCN
InChIInChI=1S/C6H18N4.C2H7N.C2H6/c7-1-4-10(5-2-8)6-3-9;1-3-2;1-2/h1-9H2;3H,1-2H3;1-2H3
InChIKeyMNOXZMROJIJBFN-UHFFFAOYSA-N
XLogP-0.97
TPSA93.33 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.39
LogP ≤ 5-0.97
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

N'-(2-aminoethyl)-N'-[2-(methylamino)ethyl]ethane-1,2-diamine;methane
CID 161159792
2-[2-aminoethyl(2-hydroxyethyl)amino]ethanol;ethane
CID 143379141
N'-(2-aminoethyl)-N'-[2-(diethylamino)ethyl]ethane-1,2-diamine
CID 107912667
N'-[2-[bis(2-aminoethyl)amino]ethyl]-N'-ethylethane-1,2-diamine
CID 157466747
N'-[2-[2-[2-[2-aminoethyl-[2-(methylamino)ethyl]amino]ethylamino]ethyl-[2-(methylamino)ethyl]amino]ethyl]ethane-1,2-diamine
CID 146523021
N'-(2-aminoethyl)-N'-[2-(tert-butylamino)ethyl]ethane-1,2-diamine
CID 164940273
N',N'-bis(2-methoxyethyl)ethane-1,2-diamine;dihydrochloride
CID 86811567
N'-(2-aminoethyl)-N'-hexylethane-1,2-diamine
CID 62923108
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',N'-bis(2-aminoethyl)-N-propylpropane-1,3-diamine
CID 20586475
2-[2-aminoethyl-[2-[2-aminoethyl(2-sulfanylethyl)amino]ethyl]amino]ethanethiol
CID 20693626
N',N'-bis(2-aminoethyl)ethane-1,2-diamine;perchloric acid
CID 71341920

Frequently Asked Questions

What is the IUPAC name of N',N'-bis(2-aminoethyl)ethane-1,2-diamine;ethane;N-methylmethanamine?
The IUPAC name of N',N'-bis(2-aminoethyl)ethane-1,2-diamine;ethane;N-methylmethanamine (CID 163255552) is N',N'-bis(2-aminoethyl)ethane-1,2-diamine;ethane;N-methylmethanamine.
What is the SMILES notation for N',N'-bis(2-aminoethyl)ethane-1,2-diamine;ethane;N-methylmethanamine?
The canonical SMILES for N',N'-bis(2-aminoethyl)ethane-1,2-diamine;ethane;N-methylmethanamine is CC.CNC.NCCN(CCN)CCN.
What is the InChIKey of N',N'-bis(2-aminoethyl)ethane-1,2-diamine;ethane;N-methylmethanamine?
The InChIKey is MNOXZMROJIJBFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H18N4.C2H7N.C2H6/c7-1-4-10(5-2-8)6-3-9;1-3-2;1-2/h1-9H2;3H,1-2H3;1-2H3.
What are the key properties of N',N'-bis(2-aminoethyl)ethane-1,2-diamine;ethane;N-methylmethanamine?
N',N'-bis(2-aminoethyl)ethane-1,2-diamine;ethane;N-methylmethanamine has a molecular weight of 221.39 g/mol, XLogP of -0.97, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-bis(2-aminoethyl)ethane-1,2-diamine;ethane;N-methylmethanamine is sourced from PubChem (CID 163255552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).