ethane;2-N,3-N,3-N-trimethylpropane-1,2,3-triamine

C8H23N3 — CID 164903776

IUPACethane;2-N,3-N,3-N-trimethylpropane-1,2,3-triamine
SMILESCC.CNC(CN)CN(C)C
InChIInChI=1S/C6H17N3.C2H6/c1-8-6(4-7)5-9(2)3;1-2/h6,8H,4-5,7H2,1-3H3;1-2H3
InChIKeyALVUZTXZCUBWRO-UHFFFAOYSA-N
MW161.29 g/mol
LogP0.12
Rot. Bonds4

About ethane;2-N,3-N,3-N-trimethylpropane-1,2,3-triamine

ethane;2-N,3-N,3-N-trimethylpropane-1,2,3-triamine (PubChem CID 164903776) has the molecular formula C8H23N3 and a molecular weight of 161.29 g/mol. Its IUPAC name is ethane;2-N,3-N,3-N-trimethylpropane-1,2,3-triamine.

Molecular Properties

Compound Nameethane;2-N,3-N,3-N-trimethylpropane-1,2,3-triamine
PubChem CID164903776
Molecular FormulaC8H23N3
Molecular Weight161.29 g/mol
Exact Mass161.19
IUPAC Nameethane;2-N,3-N,3-N-trimethylpropane-1,2,3-triamine
SMILESCC.CNC(CN)CN(C)C
InChIInChI=1S/C6H17N3.C2H6/c1-8-6(4-7)5-9(2)3;1-2/h6,8H,4-5,7H2,1-3H3;1-2H3
InChIKeyALVUZTXZCUBWRO-UHFFFAOYSA-N
XLogP0.12
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.29
LogP ≤ 50.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-N-methylpropane-1,2,3-triamine
CID 22619064
molecular hydrogen;(2S)-1-N,1-N,2-N-trimethylbutane-1,2-diamine
CID 176566866
(2R)-2-N-methylbutane-1,2-diamine
CID 94343241
1-N,1-N,2-N-trimethylpent-4-yne-1,2-diamine
CID 79093589
1-N,1-N,2-N-trimethylpent-4-ene-1,2-diamine
CID 79093787
molecular hydrogen;(2R)-1-N,1-N,2-N-trimethylpentane-1,2-diamine
CID 176920896
3-(3,5-dimethylphenyl)-1-N,1-N,2-N-trimethylpropane-1,2-diamine
CID 79093296
(2R)-3-cyclohexyl-1-N,1-N,2-N-trimethylpropane-1,2-diamine
CID 58597797
1-N-[2-(dimethylamino)ethyl]-1-N,2-N-dimethylbutane-1,2-diamine
CID 63694501
2-hydrazinyl-N,N,6-trimethylheptan-1-amine
CID 105244954
2-(methylamino)-3-[methyl(2-methylpropyl)amino]propan-1-ol
CID 64797210
2-N-[1-(dimethylamino)propan-2-yl]propane-1,2-diamine
CID 103390735

Frequently Asked Questions

What is the IUPAC name of ethane;2-N,3-N,3-N-trimethylpropane-1,2,3-triamine?
The IUPAC name of ethane;2-N,3-N,3-N-trimethylpropane-1,2,3-triamine (CID 164903776) is ethane;2-N,3-N,3-N-trimethylpropane-1,2,3-triamine.
What is the SMILES notation for ethane;2-N,3-N,3-N-trimethylpropane-1,2,3-triamine?
The canonical SMILES for ethane;2-N,3-N,3-N-trimethylpropane-1,2,3-triamine is CC.CNC(CN)CN(C)C.
What is the InChIKey of ethane;2-N,3-N,3-N-trimethylpropane-1,2,3-triamine?
The InChIKey is ALVUZTXZCUBWRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H17N3.C2H6/c1-8-6(4-7)5-9(2)3;1-2/h6,8H,4-5,7H2,1-3H3;1-2H3.
What are the key properties of ethane;2-N,3-N,3-N-trimethylpropane-1,2,3-triamine?
ethane;2-N,3-N,3-N-trimethylpropane-1,2,3-triamine has a molecular weight of 161.29 g/mol, XLogP of 0.12, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-N,3-N,3-N-trimethylpropane-1,2,3-triamine is sourced from PubChem (CID 164903776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).