N-methyl-N-[[3-(methylaminomethyl)-2-pyridinyl]methyl]pentan-1-amine

C14H25N3 — CID 114198997

IUPACN-methyl-N-[[3-(methylaminomethyl)-2-pyridinyl]methyl]pentan-1-amine
SMILESCCCCCN(C)Cc1ncccc1CNC
InChIInChI=1S/C14H25N3/c1-4-5-6-10-17(3)12-14-13(11-15-2)8-7-9-16-14/h7-9,15H,4-6,10-12H2,1-3H3
InChIKeyYGKROMYKFJGXPJ-UHFFFAOYSA-N
MW235.38 g/mol
LogP2.42
Rot. Bonds8

About N-methyl-N-[[3-(methylaminomethyl)-2-pyridinyl]methyl]pentan-1-amine

N-methyl-N-[[3-(methylaminomethyl)-2-pyridinyl]methyl]pentan-1-amine (PubChem CID 114198997) has the molecular formula C14H25N3 and a molecular weight of 235.38 g/mol. Its IUPAC name is N-methyl-N-[[3-(methylaminomethyl)-2-pyridinyl]methyl]pentan-1-amine.

Molecular Properties

Compound NameN-methyl-N-[[3-(methylaminomethyl)-2-pyridinyl]methyl]pentan-1-amine
PubChem CID114198997
Molecular FormulaC14H25N3
Molecular Weight235.38 g/mol
Exact Mass235.20
IUPAC NameN-methyl-N-[[3-(methylaminomethyl)-2-pyridinyl]methyl]pentan-1-amine
SMILESCCCCCN(C)Cc1ncccc1CNC
InChIInChI=1S/C14H25N3/c1-4-5-6-10-17(3)12-14-13(11-15-2)8-7-9-16-14/h7-9,15H,4-6,10-12H2,1-3H3
InChIKeyYGKROMYKFJGXPJ-UHFFFAOYSA-N
XLogP2.42
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.38
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-methyl-N-[[2-(methylaminomethyl)phenyl]methyl]butan-1-amine
CID 62424027
N-[(2-chloro-3-pyridinyl)methyl]-N-methylpentan-1-amine
CID 62471625
[2-[[hexyl(methyl)amino]methyl]-3-pyridinyl] N,N-dimethylcarbamate
CID 3074951
N,N-dibutyl-3-(methylaminomethyl)pyridin-2-amine
CID 62279311
N-[(2-chloro-3-pyridinyl)methyl]-N-methylbutan-1-amine
CID 62472154
N-methyl-1-(2-pentoxy-3-pyridinyl)methanamine
CID 62292620
N-[[2-[[methyl(prop-2-enyl)amino]methyl]-3-pyridinyl]methyl]propan-1-amine
CID 114199097
N-butan-2-yl-N-butyl-3-(methylaminomethyl)pyridin-2-amine
CID 62287854
N-[[2-fluoro-5-(methylaminomethyl)phenyl]methyl]-N-methylpentan-1-amine
CID 107454220
3-(ethylaminomethyl)-N-methyl-N-pentylpyridin-2-amine
CID 62279064
2-dodecyl-3-ethylpyridine
CID 160514040
5-[methyl-[3-(methylaminomethyl)-2-pyridinyl]amino]pentan-1-ol
CID 114057130

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[[3-(methylaminomethyl)-2-pyridinyl]methyl]pentan-1-amine?
The IUPAC name of N-methyl-N-[[3-(methylaminomethyl)-2-pyridinyl]methyl]pentan-1-amine (CID 114198997) is N-methyl-N-[[3-(methylaminomethyl)-2-pyridinyl]methyl]pentan-1-amine.
What is the SMILES notation for N-methyl-N-[[3-(methylaminomethyl)-2-pyridinyl]methyl]pentan-1-amine?
The canonical SMILES for N-methyl-N-[[3-(methylaminomethyl)-2-pyridinyl]methyl]pentan-1-amine is CCCCCN(C)Cc1ncccc1CNC.
What is the InChIKey of N-methyl-N-[[3-(methylaminomethyl)-2-pyridinyl]methyl]pentan-1-amine?
The InChIKey is YGKROMYKFJGXPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3/c1-4-5-6-10-17(3)12-14-13(11-15-2)8-7-9-16-14/h7-9,15H,4-6,10-12H2,1-3H3.
What are the key properties of N-methyl-N-[[3-(methylaminomethyl)-2-pyridinyl]methyl]pentan-1-amine?
N-methyl-N-[[3-(methylaminomethyl)-2-pyridinyl]methyl]pentan-1-amine has a molecular weight of 235.38 g/mol, XLogP of 2.42, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[[3-(methylaminomethyl)-2-pyridinyl]methyl]pentan-1-amine is sourced from PubChem (CID 114198997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).