N-[[6-(ethylaminomethyl)-2-pyridinyl]methyl]-N-methylcyclohexanamine

C16H27N3 — CID 106905571

IUPACN-[[6-(ethylaminomethyl)-2-pyridinyl]methyl]-N-methylcyclohexanamine
SMILESCCNCc1cccc(CN(C)C2CCCCC2)n1
InChIInChI=1S/C16H27N3/c1-3-17-12-14-8-7-9-15(18-14)13-19(2)16-10-5-4-6-11-16/h7-9,16-17H,3-6,10-13H2,1-2H3
InChIKeyYTUYQQJPHAXIOE-UHFFFAOYSA-N
MW261.41 g/mol
LogP2.96
Rot. Bonds6

About N-[[6-(ethylaminomethyl)-2-pyridinyl]methyl]-N-methylcyclohexanamine

N-[[6-(ethylaminomethyl)-2-pyridinyl]methyl]-N-methylcyclohexanamine (PubChem CID 106905571) has the molecular formula C16H27N3 and a molecular weight of 261.41 g/mol. Its IUPAC name is N-[[6-(ethylaminomethyl)-2-pyridinyl]methyl]-N-methylcyclohexanamine.

Molecular Properties

Compound NameN-[[6-(ethylaminomethyl)-2-pyridinyl]methyl]-N-methylcyclohexanamine
PubChem CID106905571
Molecular FormulaC16H27N3
Molecular Weight261.41 g/mol
Exact Mass261.22
IUPAC NameN-[[6-(ethylaminomethyl)-2-pyridinyl]methyl]-N-methylcyclohexanamine
SMILESCCNCc1cccc(CN(C)C2CCCCC2)n1
InChIInChI=1S/C16H27N3/c1-3-17-12-14-8-7-9-15(18-14)13-19(2)16-10-5-4-6-11-16/h7-9,16-17H,3-6,10-13H2,1-2H3
InChIKeyYTUYQQJPHAXIOE-UHFFFAOYSA-N
XLogP2.96
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[6-(ethylaminomethyl)-2-pyridinyl]methyl]-N-methylcyclohexanamine?
The IUPAC name of N-[[6-(ethylaminomethyl)-2-pyridinyl]methyl]-N-methylcyclohexanamine (CID 106905571) is N-[[6-(ethylaminomethyl)-2-pyridinyl]methyl]-N-methylcyclohexanamine.
What is the SMILES notation for N-[[6-(ethylaminomethyl)-2-pyridinyl]methyl]-N-methylcyclohexanamine?
The canonical SMILES for N-[[6-(ethylaminomethyl)-2-pyridinyl]methyl]-N-methylcyclohexanamine is CCNCc1cccc(CN(C)C2CCCCC2)n1.
What is the InChIKey of N-[[6-(ethylaminomethyl)-2-pyridinyl]methyl]-N-methylcyclohexanamine?
The InChIKey is YTUYQQJPHAXIOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3/c1-3-17-12-14-8-7-9-15(18-14)13-19(2)16-10-5-4-6-11-16/h7-9,16-17H,3-6,10-13H2,1-2H3.
What are the key properties of N-[[6-(ethylaminomethyl)-2-pyridinyl]methyl]-N-methylcyclohexanamine?
N-[[6-(ethylaminomethyl)-2-pyridinyl]methyl]-N-methylcyclohexanamine has a molecular weight of 261.41 g/mol, XLogP of 2.96, 6 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-methylcyclohexanamine is sourced from PubChem (CID 106905571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).