N-[[6-(ethylaminomethyl)-2-pyridinyl]methyl]-N,3-dimethylbutan-2-amine

C15H27N3 — CID 106905884

IUPACN-[[6-(ethylaminomethyl)-2-pyridinyl]methyl]-N,3-dimethylbutan-2-amine
SMILESCCNCc1cccc(CN(C)C(C)C(C)C)n1
InChIInChI=1S/C15H27N3/c1-6-16-10-14-8-7-9-15(17-14)11-18(5)13(4)12(2)3/h7-9,12-13,16H,6,10-11H2,1-5H3
InChIKeyHRBNJCHSKHMTCA-UHFFFAOYSA-N
MW249.40 g/mol
LogP2.67
Rot. Bonds7

About N-[[6-(ethylaminomethyl)-2-pyridinyl]methyl]-N,3-dimethylbutan-2-amine

N-[[6-(ethylaminomethyl)-2-pyridinyl]methyl]-N,3-dimethylbutan-2-amine (PubChem CID 106905884) has the molecular formula C15H27N3 and a molecular weight of 249.40 g/mol. Its IUPAC name is N-[[6-(ethylaminomethyl)-2-pyridinyl]methyl]-N,3-dimethylbutan-2-amine.

Molecular Properties

Compound NameN-[[6-(ethylaminomethyl)-2-pyridinyl]methyl]-N,3-dimethylbutan-2-amine
PubChem CID106905884
Molecular FormulaC15H27N3
Molecular Weight249.40 g/mol
Exact Mass249.22
IUPAC NameN-[[6-(ethylaminomethyl)-2-pyridinyl]methyl]-N,3-dimethylbutan-2-amine
SMILESCCNCc1cccc(CN(C)C(C)C(C)C)n1
InChIInChI=1S/C15H27N3/c1-6-16-10-14-8-7-9-15(17-14)11-18(5)13(4)12(2)3/h7-9,12-13,16H,6,10-11H2,1-5H3
InChIKeyHRBNJCHSKHMTCA-UHFFFAOYSA-N
XLogP2.67
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[6-(ethylaminomethyl)-2-pyridinyl]methyl]-N-methylpentan-3-amine
CID 106905876
N-[[6-(ethylaminomethyl)-2-pyridinyl]methyl]ethanamine
CID 11566567
N-[[6-[[methyl(propan-2-yl)amino]methyl]-2-pyridinyl]methyl]propan-1-amine
CID 106905577
N-methyl-N-[[6-[(2-methylpropylamino)methyl]-2-pyridinyl]methyl]pentan-3-amine
CID 106905878
N-[[6-(ethylaminomethyl)-2-pyridinyl]methyl]-N-propan-2-ylpentan-1-amine
CID 106906306
N'-ethyl-N'-[[6-(ethylaminomethyl)-2-pyridinyl]methyl]-N,N-dimethylpropane-1,3-diamine
CID 106907275
N-[[6-[[(4-fluorophenyl)methyl-methylamino]methyl]-2-pyridinyl]methyl]ethanamine
CID 106905328
N-[[6-(ethylaminomethyl)-2-pyridinyl]methyl]-N-methylcyclohexanamine
CID 106905571
2-ethoxy-N-ethyl-N-[[6-(ethylaminomethyl)-2-pyridinyl]methyl]ethanamine
CID 106906611
N-[[6-(ethylaminomethyl)-2-pyridinyl]methyl]-N-(2-methoxyethyl)butan-2-amine
CID 106906356
N-[[3-(ethylaminomethyl)-2-pyridinyl]methyl]-N,3-dimethylbutan-2-amine
CID 114199004
N-[[6-[[(2-fluorophenyl)methyl-methylamino]methyl]-2-pyridinyl]methyl]ethanamine
CID 106906229

Frequently Asked Questions

What is the IUPAC name of N-[[6-(ethylaminomethyl)-2-pyridinyl]methyl]-N,3-dimethylbutan-2-amine?
The IUPAC name of N-[[6-(ethylaminomethyl)-2-pyridinyl]methyl]-N,3-dimethylbutan-2-amine (CID 106905884) is N-[[6-(ethylaminomethyl)-2-pyridinyl]methyl]-N,3-dimethylbutan-2-amine.
What is the SMILES notation for N-[[6-(ethylaminomethyl)-2-pyridinyl]methyl]-N,3-dimethylbutan-2-amine?
The canonical SMILES for N-[[6-(ethylaminomethyl)-2-pyridinyl]methyl]-N,3-dimethylbutan-2-amine is CCNCc1cccc(CN(C)C(C)C(C)C)n1.
What is the InChIKey of N-[[6-(ethylaminomethyl)-2-pyridinyl]methyl]-N,3-dimethylbutan-2-amine?
The InChIKey is HRBNJCHSKHMTCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3/c1-6-16-10-14-8-7-9-15(17-14)11-18(5)13(4)12(2)3/h7-9,12-13,16H,6,10-11H2,1-5H3.
What are the key properties of N-[[6-(ethylaminomethyl)-2-pyridinyl]methyl]-N,3-dimethylbutan-2-amine?
N-[[6-(ethylaminomethyl)-2-pyridinyl]methyl]-N,3-dimethylbutan-2-amine has a molecular weight of 249.40 g/mol, XLogP of 2.67, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(ethylaminomethyl)-2-pyridinyl]methyl]-N,3-dimethylbutan-2-amine is sourced from PubChem (CID 106905884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).