N'-[5-chloro-6-(methylaminomethyl)-2-pyridinyl]-N,N,N'-trimethylpropane-1,3-diamine

C13H23ClN4 — CID 63699861

IUPACN'-[5-chloro-6-(methylaminomethyl)-2-pyridinyl]-N,N,N'-trimethylpropane-1,3-diamine
SMILESCNCc1nc(N(C)CCCN(C)C)ccc1Cl
InChIInChI=1S/C13H23ClN4/c1-15-10-12-11(14)6-7-13(16-12)18(4)9-5-8-17(2)3/h6-7,15H,5,8-10H2,1-4H3
InChIKeyUWOPSVVZVONLLT-UHFFFAOYSA-N
MW270.81 g/mol
LogP1.84
Rot. Bonds7

About N'-[5-chloro-6-(methylaminomethyl)-2-pyridinyl]-N,N,N'-trimethylpropane-1,3-diamine

N'-[5-chloro-6-(methylaminomethyl)-2-pyridinyl]-N,N,N'-trimethylpropane-1,3-diamine (PubChem CID 63699861) has the molecular formula C13H23ClN4 and a molecular weight of 270.81 g/mol. Its IUPAC name is N'-[5-chloro-6-(methylaminomethyl)-2-pyridinyl]-N,N,N'-trimethylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-[5-chloro-6-(methylaminomethyl)-2-pyridinyl]-N,N,N'-trimethylpropane-1,3-diamine
PubChem CID63699861
Molecular FormulaC13H23ClN4
Molecular Weight270.81 g/mol
Exact Mass270.16
IUPAC NameN'-[5-chloro-6-(methylaminomethyl)-2-pyridinyl]-N,N,N'-trimethylpropane-1,3-diamine
SMILESCNCc1nc(N(C)CCCN(C)C)ccc1Cl
InChIInChI=1S/C13H23ClN4/c1-15-10-12-11(14)6-7-13(16-12)18(4)9-5-8-17(2)3/h6-7,15H,5,8-10H2,1-4H3
InChIKeyUWOPSVVZVONLLT-UHFFFAOYSA-N
XLogP1.84
TPSA31.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.81
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N'-[5-chloro-6-(methylaminomethyl)-2-pyridinyl]-N,N,N'-trimethylpropane-1,3-diamine?
The IUPAC name of N'-[5-chloro-6-(methylaminomethyl)-2-pyridinyl]-N,N,N'-trimethylpropane-1,3-diamine (CID 63699861) is N'-[5-chloro-6-(methylaminomethyl)-2-pyridinyl]-N,N,N'-trimethylpropane-1,3-diamine.
What is the SMILES notation for N'-[5-chloro-6-(methylaminomethyl)-2-pyridinyl]-N,N,N'-trimethylpropane-1,3-diamine?
The canonical SMILES for N'-[5-chloro-6-(methylaminomethyl)-2-pyridinyl]-N,N,N'-trimethylpropane-1,3-diamine is CNCc1nc(N(C)CCCN(C)C)ccc1Cl.
What is the InChIKey of N'-[5-chloro-6-(methylaminomethyl)-2-pyridinyl]-N,N,N'-trimethylpropane-1,3-diamine?
The InChIKey is UWOPSVVZVONLLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23ClN4/c1-15-10-12-11(14)6-7-13(16-12)18(4)9-5-8-17(2)3/h6-7,15H,5,8-10H2,1-4H3.
What are the key properties of N'-[5-chloro-6-(methylaminomethyl)-2-pyridinyl]-N,N,N'-trimethylpropane-1,3-diamine?
N'-[5-chloro-6-(methylaminomethyl)-2-pyridinyl]-N,N,N'-trimethylpropane-1,3-diamine has a molecular weight of 270.81 g/mol, XLogP of 1.84, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[5-chloro-6-(methylaminomethyl)-2-pyridinyl]-N,N,N'-trimethylpropane-1,3-diamine is sourced from PubChem (CID 63699861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).