N-[2-(dimethylamino)ethyl]-N,N',2,2-tetramethylpropane-1,3-diamine

C11H27N3 — CID 63699483

IUPACN-[2-(dimethylamino)ethyl]-N,N',2,2-tetramethylpropane-1,3-diamine
SMILESCNCC(C)(C)CN(C)CCN(C)C
InChIInChI=1S/C11H27N3/c1-11(2,9-12-3)10-14(6)8-7-13(4)5/h12H,7-10H2,1-6H3
InChIKeyRXYHMLYIXKPDNY-UHFFFAOYSA-N
MW201.36 g/mol
LogP0.73
Rot. Bonds7

About N-[2-(dimethylamino)ethyl]-N,N',2,2-tetramethylpropane-1,3-diamine

N-[2-(dimethylamino)ethyl]-N,N',2,2-tetramethylpropane-1,3-diamine (PubChem CID 63699483) has the molecular formula C11H27N3 and a molecular weight of 201.36 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-N,N',2,2-tetramethylpropane-1,3-diamine.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-N,N',2,2-tetramethylpropane-1,3-diamine
PubChem CID63699483
Molecular FormulaC11H27N3
Molecular Weight201.36 g/mol
Exact Mass201.22
IUPAC NameN-[2-(dimethylamino)ethyl]-N,N',2,2-tetramethylpropane-1,3-diamine
SMILESCNCC(C)(C)CN(C)CCN(C)C
InChIInChI=1S/C11H27N3/c1-11(2,9-12-3)10-14(6)8-7-13(4)5/h12H,7-10H2,1-6H3
InChIKeyRXYHMLYIXKPDNY-UHFFFAOYSA-N
XLogP0.73
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.36
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-N,N',2,2-tetramethylpropane-1,3-diamine?
The IUPAC name of N-[2-(dimethylamino)ethyl]-N,N',2,2-tetramethylpropane-1,3-diamine (CID 63699483) is N-[2-(dimethylamino)ethyl]-N,N',2,2-tetramethylpropane-1,3-diamine.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-N,N',2,2-tetramethylpropane-1,3-diamine?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-N,N',2,2-tetramethylpropane-1,3-diamine is CNCC(C)(C)CN(C)CCN(C)C.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-N,N',2,2-tetramethylpropane-1,3-diamine?
The InChIKey is RXYHMLYIXKPDNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H27N3/c1-11(2,9-12-3)10-14(6)8-7-13(4)5/h12H,7-10H2,1-6H3.
What are the key properties of N-[2-(dimethylamino)ethyl]-N,N',2,2-tetramethylpropane-1,3-diamine?
N-[2-(dimethylamino)ethyl]-N,N',2,2-tetramethylpropane-1,3-diamine has a molecular weight of 201.36 g/mol, XLogP of 0.73, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-N,N',2,2-tetramethylpropane-1,3-diamine is sourced from PubChem (CID 63699483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).