propane;N,N',N'-trimethylethane-1,2-diamine

C11H30N2 — CID 176717346

IUPACpropane;N,N',N'-trimethylethane-1,2-diamine
SMILESCCC.CCC.CNCCN(C)C
InChIInChI=1S/C5H14N2.2C3H8/c1-6-4-5-7(2)3;2*1-3-2/h6H,4-5H2,1-3H3;2*3H2,1-2H3
InChIKeyXMBLJZDRAPCWFC-UHFFFAOYSA-N
MW190.37 g/mol
LogP2.60
Rot. Bonds3

About propane;N,N',N'-trimethylethane-1,2-diamine

propane;N,N',N'-trimethylethane-1,2-diamine (PubChem CID 176717346) has the molecular formula C11H30N2 and a molecular weight of 190.37 g/mol. Its IUPAC name is propane;N,N',N'-trimethylethane-1,2-diamine.

Molecular Properties

Compound Namepropane;N,N',N'-trimethylethane-1,2-diamine
PubChem CID176717346
Molecular FormulaC11H30N2
Molecular Weight190.37 g/mol
Exact Mass190.24
IUPAC Namepropane;N,N',N'-trimethylethane-1,2-diamine
SMILESCCC.CCC.CNCCN(C)C
InChIInChI=1S/C5H14N2.2C3H8/c1-6-4-5-7(2)3;2*1-3-2/h6H,4-5H2,1-3H3;2*3H2,1-2H3
InChIKeyXMBLJZDRAPCWFC-UHFFFAOYSA-N
XLogP2.60
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.37
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

ethane;propane;N,N',N'-trimethylethane-1,2-diamine
CID 143559684
lithium;hydride;N,N',N'-trimethylethane-1,2-diamine
CID 173063979
2-chloro-N,N-dimethylethanamine;N,N',N'-trimethylethane-1,2-diamine;hydrochloride
CID 160877292
N,N-dimethyl-N'-[2-(methylamino)ethyl]-N'-propylpropane-1,3-diamine
CID 114525574
methanol;N,N',N'-trimethylpropane-1,3-diamine
CID 172587497
ethane;N'-ethyl-N,N'-dimethylethane-1,2-diamine
CID 142870975
N,N',N'-trimethylheptane-1,7-diamine
CID 20647758
N,N'-dimethyl-N'-propylethane-1,2-diamine;methane
CID 159586340
azane;N,N',N'-trimethylhexane-1,6-diamine
CID 23104245
N',N'-diethyl-N-methylethane-1,2-diamine;ethane
CID 142004273
N,N'-dimethyl-N'-phosphanylethane-1,2-diamine
CID 129067640
1-[2-(dimethylamino)ethyl]-3-methylurea;propane
CID 158826025

Frequently Asked Questions

What is the IUPAC name of propane;N,N',N'-trimethylethane-1,2-diamine?
The IUPAC name of propane;N,N',N'-trimethylethane-1,2-diamine (CID 176717346) is propane;N,N',N'-trimethylethane-1,2-diamine.
What is the SMILES notation for propane;N,N',N'-trimethylethane-1,2-diamine?
The canonical SMILES for propane;N,N',N'-trimethylethane-1,2-diamine is CCC.CCC.CNCCN(C)C.
What is the InChIKey of propane;N,N',N'-trimethylethane-1,2-diamine?
The InChIKey is XMBLJZDRAPCWFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H14N2.2C3H8/c1-6-4-5-7(2)3;2*1-3-2/h6H,4-5H2,1-3H3;2*3H2,1-2H3.
What are the key properties of propane;N,N',N'-trimethylethane-1,2-diamine?
propane;N,N',N'-trimethylethane-1,2-diamine has a molecular weight of 190.37 g/mol, XLogP of 2.60, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for propane;N,N',N'-trimethylethane-1,2-diamine is sourced from PubChem (CID 176717346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).