azane;ethane;3-ethylpyridine;pyridin-3-ylmethanamine

C21H44N4 — CID 169427277

IUPACazane;ethane;3-ethylpyridine;pyridin-3-ylmethanamine
SMILESCC.CC.CC.CC.CCc1cccnc1.N.NCc1cccnc1
InChIInChI=1S/C7H9N.C6H8N2.4C2H6.H3N/c1-2-7-4-3-5-8-6-7;7-4-6-2-1-3-8-5-6;4*1-2;/h3-6H,2H2,1H3;1-3,5H,4,7H2;4*1-2H3;1H3
InChIKeyBLHYXLMPIDCKGO-UHFFFAOYSA-N
MW352.61 g/mol
LogP6.45
Rot. Bonds2

About azane;ethane;3-ethylpyridine;pyridin-3-ylmethanamine

azane;ethane;3-ethylpyridine;pyridin-3-ylmethanamine (PubChem CID 169427277) has the molecular formula C21H44N4 and a molecular weight of 352.61 g/mol. Its IUPAC name is azane;ethane;3-ethylpyridine;pyridin-3-ylmethanamine.

Molecular Properties

Compound Nameazane;ethane;3-ethylpyridine;pyridin-3-ylmethanamine
PubChem CID169427277
Molecular FormulaC21H44N4
Molecular Weight352.61 g/mol
Exact Mass352.36
IUPAC Nameazane;ethane;3-ethylpyridine;pyridin-3-ylmethanamine
SMILESCC.CC.CC.CC.CCc1cccnc1.N.NCc1cccnc1
InChIInChI=1S/C7H9N.C6H8N2.4C2H6.H3N/c1-2-7-4-3-5-8-6-7;7-4-6-2-1-3-8-5-6;4*1-2;/h3-6H,2H2,1H3;1-3,5H,4,7H2;4*1-2H3;1H3
InChIKeyBLHYXLMPIDCKGO-UHFFFAOYSA-N
XLogP6.45
TPSA86.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.61
LogP ≤ 56.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze azane;ethane;3-ethylpyridine;pyridin-3-ylmethanamine 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

3-ethylpyridine
CID 10823
ethane;ethylbenzene;3-ethylpyridine
CID 145171299
2-N-propan-2-yl-2-N-(pyridin-3-ylmethyl)propane-1,2-diamine
CID 112709140
[3-[[methyl(pyridin-3-ylmethyl)amino]methyl]phenyl]methanamine
CID 43248750
N'-propyl-N'-(pyridin-3-ylmethyl)ethane-1,2-diamine
CID 61348602
3-[[4-(4-ethylphenyl)phenyl]methyl]pyridine
CID 143881786
3-(pyridin-3-ylmethyl)pyridine
CID 14762640
[1-(5-ethyl-2-pyridinyl)-3-pyridin-3-ylpropan-2-yl]hydrazine
CID 105212070
N'-propyl-N'-(2-pyridin-3-ylethyl)ethane-1,2-diamine
CID 63265157
(2S)-1-pyridin-3-ylbutan-2-amine
CID 93246137
4-(aminomethyl)-N-methyl-N-(pyridin-3-ylmethyl)pyridazin-3-amine
CID 80507616
1-(4-ethylphenyl)-4-pyridin-3-ylbutan-2-amine
CID 105101899

Frequently Asked Questions

What is the IUPAC name of azane;ethane;3-ethylpyridine;pyridin-3-ylmethanamine?
The IUPAC name of azane;ethane;3-ethylpyridine;pyridin-3-ylmethanamine (CID 169427277) is azane;ethane;3-ethylpyridine;pyridin-3-ylmethanamine.
What is the SMILES notation for azane;ethane;3-ethylpyridine;pyridin-3-ylmethanamine?
The canonical SMILES for azane;ethane;3-ethylpyridine;pyridin-3-ylmethanamine is CC.CC.CC.CC.CCc1cccnc1.N.NCc1cccnc1.
What is the InChIKey of azane;ethane;3-ethylpyridine;pyridin-3-ylmethanamine?
The InChIKey is BLHYXLMPIDCKGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N.C6H8N2.4C2H6.H3N/c1-2-7-4-3-5-8-6-7;7-4-6-2-1-3-8-5-6;4*1-2;/h3-6H,2H2,1H3;1-3,5H,4,7H2;4*1-2H3;1H3.
What are the key properties of azane;ethane;3-ethylpyridine;pyridin-3-ylmethanamine?
azane;ethane;3-ethylpyridine;pyridin-3-ylmethanamine has a molecular weight of 352.61 g/mol, XLogP of 6.45, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for azane;ethane;3-ethylpyridine;pyridin-3-ylmethanamine is sourced from PubChem (CID 169427277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).