ethane;N'-ethyl-N,N'-dimethylmethanediamine

C9H26N2 — CID 176693737

IUPACethane;N'-ethyl-N,N'-dimethylmethanediamine
SMILESCC.CC.CCN(C)CNC
InChIInChI=1S/C5H14N2.2C2H6/c1-4-7(3)5-6-2;2*1-2/h6H,4-5H2,1-3H3;2*1-2H3
InChIKeyAGSMBNIBBBJVLQ-UHFFFAOYSA-N
MW162.32 g/mol
LogP2.17
Rot. Bonds3

About ethane;N'-ethyl-N,N'-dimethylmethanediamine

ethane;N'-ethyl-N,N'-dimethylmethanediamine (PubChem CID 176693737) has the molecular formula C9H26N2 and a molecular weight of 162.32 g/mol. Its IUPAC name is ethane;N'-ethyl-N,N'-dimethylmethanediamine.

Molecular Properties

Compound Nameethane;N'-ethyl-N,N'-dimethylmethanediamine
PubChem CID176693737
Molecular FormulaC9H26N2
Molecular Weight162.32 g/mol
Exact Mass162.21
IUPAC Nameethane;N'-ethyl-N,N'-dimethylmethanediamine
SMILESCC.CC.CCN(C)CNC
InChIInChI=1S/C5H14N2.2C2H6/c1-4-7(3)5-6-2;2*1-2/h6H,4-5H2,1-3H3;2*1-2H3
InChIKeyAGSMBNIBBBJVLQ-UHFFFAOYSA-N
XLogP2.17
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.32
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1,8-Dimethyl-1,3,6,8,10,13-hexaazacyclotetradecane
CID 12178633
1-N-[1-(dimethylamino)propyl]-1-N',1-N'-dimethylpropane-1,1-diamine
CID 21923996
1,3,5-Triazaheptan
CID 90377022
N,N-diethyl-N'-propyl-methanediamine
CID 149716134
3,10-Dimethyl-1,3,6,8,10,12-hexaazacyclotetradecane
CID 129880862
Aminomethyl(triethyl)azanium
CID 2337283
1-N,1-N',1-N'-trimethylethane-1,1-diamine
CID 11062323
3,10-Diethyl-1,3,5,8,10,12-hexazacyclotetradecane
CID 12130204
N,N'-diethylmethanediamine
CID 15191343
1-Aminoethyl(triethyl)azanium
CID 17857437
1-N',1-N',1-N",1-N"-tetraethylethane-1,1,1-triamine
CID 18612354
N'-[[(ethylaminomethylamino)methylamino]methyl]-N-methylmethanediamine
CID 18714435

Frequently Asked Questions

What is the IUPAC name of ethane;N'-ethyl-N,N'-dimethylmethanediamine?
The IUPAC name of ethane;N'-ethyl-N,N'-dimethylmethanediamine (CID 176693737) is ethane;N'-ethyl-N,N'-dimethylmethanediamine.
What is the SMILES notation for ethane;N'-ethyl-N,N'-dimethylmethanediamine?
The canonical SMILES for ethane;N'-ethyl-N,N'-dimethylmethanediamine is CC.CC.CCN(C)CNC.
What is the InChIKey of ethane;N'-ethyl-N,N'-dimethylmethanediamine?
The InChIKey is AGSMBNIBBBJVLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H14N2.2C2H6/c1-4-7(3)5-6-2;2*1-2/h6H,4-5H2,1-3H3;2*1-2H3.
What are the key properties of ethane;N'-ethyl-N,N'-dimethylmethanediamine?
ethane;N'-ethyl-N,N'-dimethylmethanediamine has a molecular weight of 162.32 g/mol, XLogP of 2.17, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N'-ethyl-N,N'-dimethylmethanediamine is sourced from PubChem (CID 176693737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).