N,N-dimethyl-3-[5-[1-(methylamino)ethyl]-3-pyridinyl]aniline

C16H21N3 — CID 82540354

IUPACN,N-dimethyl-3-[5-[1-(methylamino)ethyl]-3-pyridinyl]aniline
SMILESCNC(C)c1cncc(-c2cccc(N(C)C)c2)c1
InChIInChI=1S/C16H21N3/c1-12(17-2)14-8-15(11-18-10-14)13-6-5-7-16(9-13)19(3)4/h5-12,17H,1-4H3
InChIKeyFRPFAIWJSNKFKO-UHFFFAOYSA-N
MW255.37 g/mol
LogP3.10
Rot. Bonds4

About N,N-dimethyl-3-[5-[1-(methylamino)ethyl]-3-pyridinyl]aniline

N,N-dimethyl-3-[5-[1-(methylamino)ethyl]-3-pyridinyl]aniline (PubChem CID 82540354) has the molecular formula C16H21N3 and a molecular weight of 255.37 g/mol. Its IUPAC name is N,N-dimethyl-3-[5-[1-(methylamino)ethyl]-3-pyridinyl]aniline.

Molecular Properties

Compound NameN,N-dimethyl-3-[5-[1-(methylamino)ethyl]-3-pyridinyl]aniline
PubChem CID82540354
Molecular FormulaC16H21N3
Molecular Weight255.37 g/mol
Exact Mass255.17
IUPAC NameN,N-dimethyl-3-[5-[1-(methylamino)ethyl]-3-pyridinyl]aniline
SMILESCNC(C)c1cncc(-c2cccc(N(C)C)c2)c1
InChIInChI=1S/C16H21N3/c1-12(17-2)14-8-15(11-18-10-14)13-6-5-7-16(9-13)19(3)4/h5-12,17H,1-4H3
InChIKeyFRPFAIWJSNKFKO-UHFFFAOYSA-N
XLogP3.10
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.37
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N,N-dimethyl-3-[5-[1-(methylamino)ethyl]-3-pyridinyl]aniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N,N-dimethyl-3-[(1S)-1-(methylamino)ethyl]aniline
CID 130697779
1-[5-(3-chloro-4-methoxyphenyl)-3-pyridinyl]-N-methylethanamine
CID 82539990
N,N-dimethyl-4-[4-[1-(methylamino)ethyl]phenyl]aniline
CID 54911733
N-methyl-1-[3-(6-methyl-3-pyridinyl)phenyl]ethanamine
CID 63157736
1-[3-(4-bromophenyl)phenyl]-N-methylethanamine
CID 63888721
(1R)-N-methyl-1-pyridin-3-ylethanamine
CID 26248773
(1S)-1-(5-phenyl-3-pyridinyl)ethanamine
CID 96702221
[3-(dimethylamino)phenyl]-(methylamino)methanol
CID 59725197
4-[3-(dimethylamino)phenyl]-2-[(5-phenylpyridine-3-carbonyl)amino]benzoic acid
CID 66990541
1-[3-(1,3-benzodioxol-5-yl)phenyl]-N-methylethanamine
CID 82540311
2-methyl-N-[(1S)-1-(5-pyridin-3-yl-3-pyridinyl)ethyl]propane-2-sulfinamide
CID 165146618
N,N-dimethyl-3-[1-(methylamino)-2-pyridin-3-ylethyl]aniline
CID 105179949

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-[5-[1-(methylamino)ethyl]-3-pyridinyl]aniline?
The IUPAC name of N,N-dimethyl-3-[5-[1-(methylamino)ethyl]-3-pyridinyl]aniline (CID 82540354) is N,N-dimethyl-3-[5-[1-(methylamino)ethyl]-3-pyridinyl]aniline.
What is the SMILES notation for N,N-dimethyl-3-[5-[1-(methylamino)ethyl]-3-pyridinyl]aniline?
The canonical SMILES for N,N-dimethyl-3-[5-[1-(methylamino)ethyl]-3-pyridinyl]aniline is CNC(C)c1cncc(-c2cccc(N(C)C)c2)c1.
What is the InChIKey of N,N-dimethyl-3-[5-[1-(methylamino)ethyl]-3-pyridinyl]aniline?
The InChIKey is FRPFAIWJSNKFKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3/c1-12(17-2)14-8-15(11-18-10-14)13-6-5-7-16(9-13)19(3)4/h5-12,17H,1-4H3.
What are the key properties of N,N-dimethyl-3-[5-[1-(methylamino)ethyl]-3-pyridinyl]aniline?
N,N-dimethyl-3-[5-[1-(methylamino)ethyl]-3-pyridinyl]aniline has a molecular weight of 255.37 g/mol, XLogP of 3.10, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-[5-[1-(methylamino)ethyl]-3-pyridinyl]aniline is sourced from PubChem (CID 82540354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).