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

C15H27N3 — CID 106905876

IUPACN-[[6-(ethylaminomethyl)-2-pyridinyl]methyl]-N-methylpentan-3-amine
SMILESCCNCc1cccc(CN(C)C(CC)CC)n1
InChIInChI=1S/C15H27N3/c1-5-15(6-2)18(4)12-14-10-8-9-13(17-14)11-16-7-3/h8-10,15-16H,5-7,11-12H2,1-4H3
InChIKeyIHGWBBQRMZOCPN-UHFFFAOYSA-N
MW249.40 g/mol
LogP2.81
Rot. Bonds8

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

N-[[6-(ethylaminomethyl)-2-pyridinyl]methyl]-N-methylpentan-3-amine (PubChem CID 106905876) 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-methylpentan-3-amine.

Molecular Properties

Compound NameN-[[6-(ethylaminomethyl)-2-pyridinyl]methyl]-N-methylpentan-3-amine
PubChem CID106905876
Molecular FormulaC15H27N3
Molecular Weight249.40 g/mol
Exact Mass249.22
IUPAC NameN-[[6-(ethylaminomethyl)-2-pyridinyl]methyl]-N-methylpentan-3-amine
SMILESCCNCc1cccc(CN(C)C(CC)CC)n1
InChIInChI=1S/C15H27N3/c1-5-15(6-2)18(4)12-14-10-8-9-13(17-14)11-16-7-3/h8-10,15-16H,5-7,11-12H2,1-4H3
InChIKeyIHGWBBQRMZOCPN-UHFFFAOYSA-N
XLogP2.81
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-N-[[6-[(2-methylpropylamino)methyl]-2-pyridinyl]methyl]pentan-3-amine
CID 106905878
N-[[6-(ethylaminomethyl)-2-pyridinyl]methyl]-N,3-dimethylbutan-2-amine
CID 106905884
N-[[6-(ethylaminomethyl)-2-pyridinyl]methyl]ethanamine
CID 11566567
N-methyl-6-[[methyl(pentan-3-yl)amino]methyl]pyridin-2-amine
CID 79243618
N-[(6-chloro-2-pyridinyl)methyl]-N-methylpentan-3-amine
CID 79240734
N-methyl-1-methylsulfanyl-N-[[6-[(propan-2-ylamino)methyl]-2-pyridinyl]methyl]butan-2-amine
CID 106907072
6-[[methyl(pentan-3-yl)amino]methyl]-N-propylpyridin-2-amine
CID 79243531
N-[[6-[[methyl(propan-2-yl)amino]methyl]-2-pyridinyl]methyl]propan-1-amine
CID 106905577
N-[[6-[[(4-fluorophenyl)methyl-methylamino]methyl]-2-pyridinyl]methyl]ethanamine
CID 106905328
N-[[6-(ethylaminomethyl)-2-pyridinyl]methyl]-N-methylcyclohexanamine
CID 106905571
N-[[6-(ethylaminomethyl)-2-pyridinyl]methyl]-N-(2-methoxyethyl)butan-2-amine
CID 106906356
N-[[6-(ethylaminomethyl)-2-pyridinyl]methyl]-N-propan-2-ylpentan-1-amine
CID 106906306

Frequently Asked Questions

What is the IUPAC name of N-[[6-(ethylaminomethyl)-2-pyridinyl]methyl]-N-methylpentan-3-amine?
The IUPAC name of N-[[6-(ethylaminomethyl)-2-pyridinyl]methyl]-N-methylpentan-3-amine (CID 106905876) is N-[[6-(ethylaminomethyl)-2-pyridinyl]methyl]-N-methylpentan-3-amine.
What is the SMILES notation for N-[[6-(ethylaminomethyl)-2-pyridinyl]methyl]-N-methylpentan-3-amine?
The canonical SMILES for N-[[6-(ethylaminomethyl)-2-pyridinyl]methyl]-N-methylpentan-3-amine is CCNCc1cccc(CN(C)C(CC)CC)n1.
What is the InChIKey of N-[[6-(ethylaminomethyl)-2-pyridinyl]methyl]-N-methylpentan-3-amine?
The InChIKey is IHGWBBQRMZOCPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3/c1-5-15(6-2)18(4)12-14-10-8-9-13(17-14)11-16-7-3/h8-10,15-16H,5-7,11-12H2,1-4H3.
What are the key properties of N-[[6-(ethylaminomethyl)-2-pyridinyl]methyl]-N-methylpentan-3-amine?
N-[[6-(ethylaminomethyl)-2-pyridinyl]methyl]-N-methylpentan-3-amine has a molecular weight of 249.40 g/mol, XLogP of 2.81, 8 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-methylpentan-3-amine is sourced from PubChem (CID 106905876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).