N-[(6-methyl-2-pyridinyl)methyl]-1-pyridin-4-ylethanamine

C14H17N3 — CID 62321260

IUPACN-[(6-methyl-2-pyridinyl)methyl]-1-pyridin-4-ylethanamine
SMILESCc1cccc(CNC(C)c2ccncc2)n1
InChIInChI=1S/C14H17N3/c1-11-4-3-5-14(17-11)10-16-12(2)13-6-8-15-9-7-13/h3-9,12,16H,10H2,1-2H3
InChIKeyAKKISLIYJFRKEP-UHFFFAOYSA-N
MW227.31 g/mol
LogP2.64
Rot. Bonds4

About N-[(6-methyl-2-pyridinyl)methyl]-1-pyridin-4-ylethanamine

N-[(6-methyl-2-pyridinyl)methyl]-1-pyridin-4-ylethanamine (PubChem CID 62321260) has the molecular formula C14H17N3 and a molecular weight of 227.31 g/mol. Its IUPAC name is N-[(6-methyl-2-pyridinyl)methyl]-1-pyridin-4-ylethanamine.

Molecular Properties

Compound NameN-[(6-methyl-2-pyridinyl)methyl]-1-pyridin-4-ylethanamine
PubChem CID62321260
Molecular FormulaC14H17N3
Molecular Weight227.31 g/mol
Exact Mass227.14
IUPAC NameN-[(6-methyl-2-pyridinyl)methyl]-1-pyridin-4-ylethanamine
SMILESCc1cccc(CNC(C)c2ccncc2)n1
InChIInChI=1S/C14H17N3/c1-11-4-3-5-14(17-11)10-16-12(2)13-6-8-15-9-7-13/h3-9,12,16H,10H2,1-2H3
InChIKeyAKKISLIYJFRKEP-UHFFFAOYSA-N
XLogP2.64
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(6-methyl-2-pyridinyl)methyl]-1-(4-propan-2-ylphenyl)ethanamine
CID 62321412
(1R)-1-(4-fluorophenyl)-N-[(6-methyl-2-pyridinyl)methyl]ethanamine
CID 81347820
1-(4-methoxyphenyl)-N-[(6-methyl-2-pyridinyl)methyl]ethanamine
CID 55056902
N-[(6-methyl-2-pyridinyl)methyl]-1-pyridin-2-ylethanamine
CID 62321588
(1R)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-pyridin-4-ylethanamine
CID 28781245
1-(4-chloro-3-fluorophenyl)-N-[(6-methyl-2-pyridinyl)methyl]ethanamine
CID 82994274
1-pyridin-4-yl-N-(pyrimidin-4-ylmethyl)ethanamine
CID 62760038
3,3-dimethyl-N-[(6-methyl-2-pyridinyl)methyl]butan-2-amine
CID 115710700
(1S)-N-[(2,3-dimethylphenyl)methyl]-1-pyridin-4-ylethanamine
CID 81406440
(1R)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1-pyridin-4-ylethanamine
CID 81410306
1-N,1-N-dimethyl-2-N-[(6-methyl-2-pyridinyl)methyl]propane-1,2-diamine
CID 82939144
N-[(2-fluorophenyl)methyl]-1-pyridin-4-ylethanamine
CID 43178816

Frequently Asked Questions

What is the IUPAC name of N-[(6-methyl-2-pyridinyl)methyl]-1-pyridin-4-ylethanamine?
The IUPAC name of N-[(6-methyl-2-pyridinyl)methyl]-1-pyridin-4-ylethanamine (CID 62321260) is N-[(6-methyl-2-pyridinyl)methyl]-1-pyridin-4-ylethanamine.
What is the SMILES notation for N-[(6-methyl-2-pyridinyl)methyl]-1-pyridin-4-ylethanamine?
The canonical SMILES for N-[(6-methyl-2-pyridinyl)methyl]-1-pyridin-4-ylethanamine is Cc1cccc(CNC(C)c2ccncc2)n1.
What is the InChIKey of N-[(6-methyl-2-pyridinyl)methyl]-1-pyridin-4-ylethanamine?
The InChIKey is AKKISLIYJFRKEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3/c1-11-4-3-5-14(17-11)10-16-12(2)13-6-8-15-9-7-13/h3-9,12,16H,10H2,1-2H3.
What are the key properties of N-[(6-methyl-2-pyridinyl)methyl]-1-pyridin-4-ylethanamine?
N-[(6-methyl-2-pyridinyl)methyl]-1-pyridin-4-ylethanamine has a molecular weight of 227.31 g/mol, XLogP of 2.64, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-methyl-2-pyridinyl)methyl]-1-pyridin-4-ylethanamine is sourced from PubChem (CID 62321260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).