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

C14H25ClN4 — CID 102997409

IUPACN'-[5-chloro-6-(methylaminomethyl)-2-pyridinyl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine
SMILESCCN(CCCN(C)C)c1ccc(Cl)c(CNC)n1
InChIInChI=1S/C14H25ClN4/c1-5-19(10-6-9-18(3)4)14-8-7-12(15)13(17-14)11-16-2/h7-8,16H,5-6,9-11H2,1-4H3
InChIKeyBAUSHFZOXOERCB-UHFFFAOYSA-N
MW284.84 g/mol
LogP2.23
Rot. Bonds8

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

N'-[5-chloro-6-(methylaminomethyl)-2-pyridinyl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine (PubChem CID 102997409) has the molecular formula C14H25ClN4 and a molecular weight of 284.84 g/mol. Its IUPAC name is N'-[5-chloro-6-(methylaminomethyl)-2-pyridinyl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-[5-chloro-6-(methylaminomethyl)-2-pyridinyl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine
PubChem CID102997409
Molecular FormulaC14H25ClN4
Molecular Weight284.84 g/mol
Exact Mass284.18
IUPAC NameN'-[5-chloro-6-(methylaminomethyl)-2-pyridinyl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine
SMILESCCN(CCCN(C)C)c1ccc(Cl)c(CNC)n1
InChIInChI=1S/C14H25ClN4/c1-5-19(10-6-9-18(3)4)14-8-7-12(15)13(17-14)11-16-2/h7-8,16H,5-6,9-11H2,1-4H3
InChIKeyBAUSHFZOXOERCB-UHFFFAOYSA-N
XLogP2.23
TPSA31.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.84
LogP ≤ 52.23
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'-ethyl-N,N-dimethylpropane-1,3-diamine?
The IUPAC name of N'-[5-chloro-6-(methylaminomethyl)-2-pyridinyl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine (CID 102997409) is N'-[5-chloro-6-(methylaminomethyl)-2-pyridinyl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine.
What is the SMILES notation for N'-[5-chloro-6-(methylaminomethyl)-2-pyridinyl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine?
The canonical SMILES for N'-[5-chloro-6-(methylaminomethyl)-2-pyridinyl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine is CCN(CCCN(C)C)c1ccc(Cl)c(CNC)n1.
What is the InChIKey of N'-[5-chloro-6-(methylaminomethyl)-2-pyridinyl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine?
The InChIKey is BAUSHFZOXOERCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25ClN4/c1-5-19(10-6-9-18(3)4)14-8-7-12(15)13(17-14)11-16-2/h7-8,16H,5-6,9-11H2,1-4H3.
What are the key properties of N'-[5-chloro-6-(methylaminomethyl)-2-pyridinyl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine?
N'-[5-chloro-6-(methylaminomethyl)-2-pyridinyl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine has a molecular weight of 284.84 g/mol, XLogP of 2.23, 8 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'-ethyl-N,N-dimethylpropane-1,3-diamine is sourced from PubChem (CID 102997409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).