N-ethyl-3-methyl-5-(methylaminomethyl)-N-(pyridin-2-ylmethyl)pyridin-2-amine

C16H22N4 — CID 80635618

IUPACN-ethyl-3-methyl-5-(methylaminomethyl)-N-(pyridin-2-ylmethyl)pyridin-2-amine
SMILESCCN(Cc1ccccn1)c1ncc(CNC)cc1C
InChIInChI=1S/C16H22N4/c1-4-20(12-15-7-5-6-8-18-15)16-13(2)9-14(10-17-3)11-19-16/h5-9,11,17H,4,10,12H2,1-3H3
InChIKeyKPLNNDSOOKTVBO-UHFFFAOYSA-N
MW270.38 g/mol
LogP2.53
Rot. Bonds6

About N-ethyl-3-methyl-5-(methylaminomethyl)-N-(pyridin-2-ylmethyl)pyridin-2-amine

N-ethyl-3-methyl-5-(methylaminomethyl)-N-(pyridin-2-ylmethyl)pyridin-2-amine (PubChem CID 80635618) has the molecular formula C16H22N4 and a molecular weight of 270.38 g/mol. Its IUPAC name is N-ethyl-3-methyl-5-(methylaminomethyl)-N-(pyridin-2-ylmethyl)pyridin-2-amine.

Molecular Properties

Compound NameN-ethyl-3-methyl-5-(methylaminomethyl)-N-(pyridin-2-ylmethyl)pyridin-2-amine
PubChem CID80635618
Molecular FormulaC16H22N4
Molecular Weight270.38 g/mol
Exact Mass270.18
IUPAC NameN-ethyl-3-methyl-5-(methylaminomethyl)-N-(pyridin-2-ylmethyl)pyridin-2-amine
SMILESCCN(Cc1ccccn1)c1ncc(CNC)cc1C
InChIInChI=1S/C16H22N4/c1-4-20(12-15-7-5-6-8-18-15)16-13(2)9-14(10-17-3)11-19-16/h5-9,11,17H,4,10,12H2,1-3H3
InChIKeyKPLNNDSOOKTVBO-UHFFFAOYSA-N
XLogP2.53
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N,3-dimethyl-5-(methylaminomethyl)-N-(2-pyridin-2-ylethyl)pyridin-2-amine
CID 80629000
2-[ethyl-[3-methyl-5-(methylaminomethyl)-2-pyridinyl]amino]-N-methylacetamide
CID 80629627
N-(cyclobutylmethyl)-N-ethyl-3-methyl-5-(methylaminomethyl)pyridin-2-amine
CID 107399895
5-amino-6-[ethyl(pyridin-2-ylmethyl)amino]pyridine-3-carbonitrile
CID 103468799
N-ethyl-4,6-dimethyl-N-(pyridin-2-ylmethyl)pyrimidin-2-amine
CID 133404102
N,N-bis(cyclopropylmethyl)-3-methyl-5-(methylaminomethyl)pyridin-2-amine
CID 80636371
N,6-diethyl-5-fluoro-N-(pyridin-2-ylmethyl)pyrimidin-4-amine
CID 133419197
N-[1-(2-chlorophenyl)ethyl]-N,3-dimethyl-5-(methylaminomethyl)pyridin-2-amine
CID 80638564
5-amino-6-[ethyl(pyridin-2-ylmethyl)amino]pyridine-3-carboxylic acid
CID 81439693
2-N-benzyl-2-N-ethyl-3-methylpyridine-2,5-diamine
CID 55080686
4-N-ethyl-2,5-dimethyl-4-N-(pyridin-2-ylmethyl)pyrimidine-4,6-diamine
CID 80851701
5-bromo-N-ethyl-N-(pyridin-2-ylmethyl)pyridin-3-amine
CID 104531868

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-methyl-5-(methylaminomethyl)-N-(pyridin-2-ylmethyl)pyridin-2-amine?
The IUPAC name of N-ethyl-3-methyl-5-(methylaminomethyl)-N-(pyridin-2-ylmethyl)pyridin-2-amine (CID 80635618) is N-ethyl-3-methyl-5-(methylaminomethyl)-N-(pyridin-2-ylmethyl)pyridin-2-amine.
What is the SMILES notation for N-ethyl-3-methyl-5-(methylaminomethyl)-N-(pyridin-2-ylmethyl)pyridin-2-amine?
The canonical SMILES for N-ethyl-3-methyl-5-(methylaminomethyl)-N-(pyridin-2-ylmethyl)pyridin-2-amine is CCN(Cc1ccccn1)c1ncc(CNC)cc1C.
What is the InChIKey of N-ethyl-3-methyl-5-(methylaminomethyl)-N-(pyridin-2-ylmethyl)pyridin-2-amine?
The InChIKey is KPLNNDSOOKTVBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4/c1-4-20(12-15-7-5-6-8-18-15)16-13(2)9-14(10-17-3)11-19-16/h5-9,11,17H,4,10,12H2,1-3H3.
What are the key properties of N-ethyl-3-methyl-5-(methylaminomethyl)-N-(pyridin-2-ylmethyl)pyridin-2-amine?
N-ethyl-3-methyl-5-(methylaminomethyl)-N-(pyridin-2-ylmethyl)pyridin-2-amine has a molecular weight of 270.38 g/mol, XLogP of 2.53, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-methyl-5-(methylaminomethyl)-N-(pyridin-2-ylmethyl)pyridin-2-amine is sourced from PubChem (CID 80635618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).