6-(1-aminoethyl)-N-methyl-N-(pyridin-4-ylmethyl)pyridin-3-amine

C14H18N4 — CID 83121898

IUPAC6-(1-aminoethyl)-N-methyl-N-(pyridin-4-ylmethyl)pyridin-3-amine
SMILESCC(N)c1ccc(N(C)Cc2ccncc2)cn1
InChIInChI=1S/C14H18N4/c1-11(15)14-4-3-13(9-17-14)18(2)10-12-5-7-16-8-6-12/h3-9,11H,10,15H2,1-2H3
InChIKeyONLUKWDUZMGHNP-UHFFFAOYSA-N
MW242.33 g/mol
LogP2.13
Rot. Bonds4

About 6-(1-aminoethyl)-N-methyl-N-(pyridin-4-ylmethyl)pyridin-3-amine

6-(1-aminoethyl)-N-methyl-N-(pyridin-4-ylmethyl)pyridin-3-amine (PubChem CID 83121898) has the molecular formula C14H18N4 and a molecular weight of 242.33 g/mol. Its IUPAC name is 6-(1-aminoethyl)-N-methyl-N-(pyridin-4-ylmethyl)pyridin-3-amine.

Molecular Properties

Compound Name6-(1-aminoethyl)-N-methyl-N-(pyridin-4-ylmethyl)pyridin-3-amine
PubChem CID83121898
Molecular FormulaC14H18N4
Molecular Weight242.33 g/mol
Exact Mass242.15
IUPAC Name6-(1-aminoethyl)-N-methyl-N-(pyridin-4-ylmethyl)pyridin-3-amine
SMILESCC(N)c1ccc(N(C)Cc2ccncc2)cn1
InChIInChI=1S/C14H18N4/c1-11(15)14-4-3-13(9-17-14)18(2)10-12-5-7-16-8-6-12/h3-9,11H,10,15H2,1-2H3
InChIKeyONLUKWDUZMGHNP-UHFFFAOYSA-N
XLogP2.13
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.33
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-[(1S)-1-aminoethyl]-N-[(4-fluorophenyl)methyl]-N-methylpyridin-3-amine
CID 83122237
6-[(1R)-1-aminoethyl]-N-methyl-N-[(3-methylphenyl)methyl]pyridin-3-amine
CID 83122827
6-(1-aminoethyl)-N-methyl-N-[(2-methylphenyl)methyl]pyridin-3-amine
CID 83123075
6-(1-aminoethyl)-N-methyl-N-(3-methylbutyl)pyridin-3-amine
CID 83122832
6-[(1R)-1-aminoethyl]-N,N-dimethylpyridin-3-amine
CID 83122052
6-[(1S)-1-aminoethyl]-N-methyl-N-(2-methylbutyl)pyridin-3-amine
CID 83123142
6-(1-aminoethyl)-N-methyl-N-(2,2,2-trifluoroethyl)pyridin-3-amine
CID 83122822
6-[(1S)-1-aminoethyl]-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyridin-3-amine
CID 83127064
(1S)-1-[5-[methyl-[(4-methylphenyl)methyl]amino]-2-pyridinyl]ethanol
CID 83132028
6-[(1R)-1-aminoethyl]-N-methyl-N-(2-methylprop-2-enyl)pyridin-3-amine
CID 104868613
(1S)-1-[5-[methyl(pyridin-3-ylmethyl)amino]-2-pyridinyl]ethanol
CID 83132034
6-(1-aminoethyl)-N-methyl-N-(2-thiophen-2-ylethyl)pyridin-3-amine
CID 83127479

Frequently Asked Questions

What is the IUPAC name of 6-(1-aminoethyl)-N-methyl-N-(pyridin-4-ylmethyl)pyridin-3-amine?
The IUPAC name of 6-(1-aminoethyl)-N-methyl-N-(pyridin-4-ylmethyl)pyridin-3-amine (CID 83121898) is 6-(1-aminoethyl)-N-methyl-N-(pyridin-4-ylmethyl)pyridin-3-amine.
What is the SMILES notation for 6-(1-aminoethyl)-N-methyl-N-(pyridin-4-ylmethyl)pyridin-3-amine?
The canonical SMILES for 6-(1-aminoethyl)-N-methyl-N-(pyridin-4-ylmethyl)pyridin-3-amine is CC(N)c1ccc(N(C)Cc2ccncc2)cn1.
What is the InChIKey of 6-(1-aminoethyl)-N-methyl-N-(pyridin-4-ylmethyl)pyridin-3-amine?
The InChIKey is ONLUKWDUZMGHNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4/c1-11(15)14-4-3-13(9-17-14)18(2)10-12-5-7-16-8-6-12/h3-9,11H,10,15H2,1-2H3.
What are the key properties of 6-(1-aminoethyl)-N-methyl-N-(pyridin-4-ylmethyl)pyridin-3-amine?
6-(1-aminoethyl)-N-methyl-N-(pyridin-4-ylmethyl)pyridin-3-amine has a molecular weight of 242.33 g/mol, XLogP of 2.13, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-aminoethyl)-N-methyl-N-(pyridin-4-ylmethyl)pyridin-3-amine is sourced from PubChem (CID 83121898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).