N'-[(5-amino-2-pyridinyl)methyl]-N,N,N'-trimethylethane-1,2-diamine

C11H20N4 — CID 71100273

IUPACN'-[(5-amino-2-pyridinyl)methyl]-N,N,N'-trimethylethane-1,2-diamine
SMILESCN(C)CCN(C)Cc1ccc(N)cn1
InChIInChI=1S/C11H20N4/c1-14(2)6-7-15(3)9-11-5-4-10(12)8-13-11/h4-5,8H,6-7,9,12H2,1-3H3
InChIKeyRAQJJIXXRWHXHM-UHFFFAOYSA-N
MW208.31 g/mol
LogP0.66
Rot. Bonds5

About N'-[(5-amino-2-pyridinyl)methyl]-N,N,N'-trimethylethane-1,2-diamine

N'-[(5-amino-2-pyridinyl)methyl]-N,N,N'-trimethylethane-1,2-diamine (PubChem CID 71100273) has the molecular formula C11H20N4 and a molecular weight of 208.31 g/mol. Its IUPAC name is N'-[(5-amino-2-pyridinyl)methyl]-N,N,N'-trimethylethane-1,2-diamine.

Molecular Properties

Compound NameN'-[(5-amino-2-pyridinyl)methyl]-N,N,N'-trimethylethane-1,2-diamine
PubChem CID71100273
Molecular FormulaC11H20N4
Molecular Weight208.31 g/mol
Exact Mass208.17
IUPAC NameN'-[(5-amino-2-pyridinyl)methyl]-N,N,N'-trimethylethane-1,2-diamine
SMILESCN(C)CCN(C)Cc1ccc(N)cn1
InChIInChI=1S/C11H20N4/c1-14(2)6-7-15(3)9-11-5-4-10(12)8-13-11/h4-5,8H,6-7,9,12H2,1-3H3
InChIKeyRAQJJIXXRWHXHM-UHFFFAOYSA-N
XLogP0.66
TPSA45.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.31
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N'-[(5-amino-2-pyridinyl)methyl]-N,N,N'-trimethylethane-1,2-diamine?
The IUPAC name of N'-[(5-amino-2-pyridinyl)methyl]-N,N,N'-trimethylethane-1,2-diamine (CID 71100273) is N'-[(5-amino-2-pyridinyl)methyl]-N,N,N'-trimethylethane-1,2-diamine.
What is the SMILES notation for N'-[(5-amino-2-pyridinyl)methyl]-N,N,N'-trimethylethane-1,2-diamine?
The canonical SMILES for N'-[(5-amino-2-pyridinyl)methyl]-N,N,N'-trimethylethane-1,2-diamine is CN(C)CCN(C)Cc1ccc(N)cn1.
What is the InChIKey of N'-[(5-amino-2-pyridinyl)methyl]-N,N,N'-trimethylethane-1,2-diamine?
The InChIKey is RAQJJIXXRWHXHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4/c1-14(2)6-7-15(3)9-11-5-4-10(12)8-13-11/h4-5,8H,6-7,9,12H2,1-3H3.
What are the key properties of N'-[(5-amino-2-pyridinyl)methyl]-N,N,N'-trimethylethane-1,2-diamine?
N'-[(5-amino-2-pyridinyl)methyl]-N,N,N'-trimethylethane-1,2-diamine has a molecular weight of 208.31 g/mol, XLogP of 0.66, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(5-amino-2-pyridinyl)methyl]-N,N,N'-trimethylethane-1,2-diamine is sourced from PubChem (CID 71100273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).