N-ethyl-3-methyl-1-(4-methyl-3-pyridinyl)butan-1-amine

C13H22N2 — CID 66272697

IUPACN-ethyl-3-methyl-1-(4-methyl-3-pyridinyl)butan-1-amine
SMILESCCNC(CC(C)C)c1cnccc1C
InChIInChI=1S/C13H22N2/c1-5-15-13(8-10(2)3)12-9-14-7-6-11(12)4/h6-7,9-10,13,15H,5,8H2,1-4H3
InChIKeyUDOXOKHFTXQKMK-UHFFFAOYSA-N
MW206.33 g/mol
LogP3.09
Rot. Bonds5

About N-ethyl-3-methyl-1-(4-methyl-3-pyridinyl)butan-1-amine

N-ethyl-3-methyl-1-(4-methyl-3-pyridinyl)butan-1-amine (PubChem CID 66272697) has the molecular formula C13H22N2 and a molecular weight of 206.33 g/mol. Its IUPAC name is N-ethyl-3-methyl-1-(4-methyl-3-pyridinyl)butan-1-amine.

Molecular Properties

Compound NameN-ethyl-3-methyl-1-(4-methyl-3-pyridinyl)butan-1-amine
PubChem CID66272697
Molecular FormulaC13H22N2
Molecular Weight206.33 g/mol
Exact Mass206.18
IUPAC NameN-ethyl-3-methyl-1-(4-methyl-3-pyridinyl)butan-1-amine
SMILESCCNC(CC(C)C)c1cnccc1C
InChIInChI=1S/C13H22N2/c1-5-15-13(8-10(2)3)12-9-14-7-6-11(12)4/h6-7,9-10,13,15H,5,8H2,1-4H3
InChIKeyUDOXOKHFTXQKMK-UHFFFAOYSA-N
XLogP3.09
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-ethyl-3-methyl-1-(4-methyl-3-pyridinyl)butan-1-amine 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-ethyl-1-(4-methyl-3-pyridinyl)-2-methylsulfanylethanamine
CID 66272071
N-ethyl-1-(4-methyl-3-pyridinyl)pentan-1-amine
CID 79405563
N-ethyl-3-methyl-1-pyridin-4-ylbutan-1-amine
CID 60820218
N-ethyl-1-(3-fluoro-4-pyridinyl)-3,5-dimethylhexan-1-amine
CID 114200992
N-ethyl-3-methylidene-1-(4-methyl-3-pyridinyl)pentan-1-amine
CID 114878376
1-(3-chloro-4-pyridinyl)-N-ethyl-3,5-dimethylhexan-1-amine
CID 114201768
N-ethyl-1-(4-methyl-3-pyridinyl)-3-pyridin-3-ylpropan-1-amine
CID 105164345
2-(3,4-dimethylphenyl)-N-ethyl-1-(4-methyl-3-pyridinyl)ethanamine
CID 66273352
2-(4-bromophenyl)-N-ethyl-1-(4-methyl-3-pyridinyl)ethanamine
CID 66274181
N-ethyl-1-(4-methyl-3-pyridinyl)-2-(2-methyltetrazol-5-yl)ethanamine
CID 107051307
N-ethyl-1-(4-methyl-3-pyridinyl)-2-pyridin-2-ylethanamine
CID 66273129
N-ethyl-1-isoquinolin-4-yl-3-methylbutan-1-amine
CID 63939203

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-methyl-1-(4-methyl-3-pyridinyl)butan-1-amine?
The IUPAC name of N-ethyl-3-methyl-1-(4-methyl-3-pyridinyl)butan-1-amine (CID 66272697) is N-ethyl-3-methyl-1-(4-methyl-3-pyridinyl)butan-1-amine.
What is the SMILES notation for N-ethyl-3-methyl-1-(4-methyl-3-pyridinyl)butan-1-amine?
The canonical SMILES for N-ethyl-3-methyl-1-(4-methyl-3-pyridinyl)butan-1-amine is CCNC(CC(C)C)c1cnccc1C.
What is the InChIKey of N-ethyl-3-methyl-1-(4-methyl-3-pyridinyl)butan-1-amine?
The InChIKey is UDOXOKHFTXQKMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2/c1-5-15-13(8-10(2)3)12-9-14-7-6-11(12)4/h6-7,9-10,13,15H,5,8H2,1-4H3.
What are the key properties of N-ethyl-3-methyl-1-(4-methyl-3-pyridinyl)butan-1-amine?
N-ethyl-3-methyl-1-(4-methyl-3-pyridinyl)butan-1-amine has a molecular weight of 206.33 g/mol, XLogP of 3.09, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-methyl-1-(4-methyl-3-pyridinyl)butan-1-amine is sourced from PubChem (CID 66272697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).