N'-methyl-N-pentyl-N'-(pyridin-3-ylmethyl)ethane-1,2-diamine

C14H25N3 — CID 62560428

IUPACN'-methyl-N-pentyl-N'-(pyridin-3-ylmethyl)ethane-1,2-diamine
SMILESCCCCCNCCN(C)Cc1cccnc1
InChIInChI=1S/C14H25N3/c1-3-4-5-8-15-10-11-17(2)13-14-7-6-9-16-12-14/h6-7,9,12,15H,3-5,8,10-11,13H2,1-2H3
InChIKeyWCHQBRCSPNOKLY-UHFFFAOYSA-N
MW235.38 g/mol
LogP2.29
Rot. Bonds9

About N'-methyl-N-pentyl-N'-(pyridin-3-ylmethyl)ethane-1,2-diamine

N'-methyl-N-pentyl-N'-(pyridin-3-ylmethyl)ethane-1,2-diamine (PubChem CID 62560428) has the molecular formula C14H25N3 and a molecular weight of 235.38 g/mol. Its IUPAC name is N'-methyl-N-pentyl-N'-(pyridin-3-ylmethyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-methyl-N-pentyl-N'-(pyridin-3-ylmethyl)ethane-1,2-diamine
PubChem CID62560428
Molecular FormulaC14H25N3
Molecular Weight235.38 g/mol
Exact Mass235.20
IUPAC NameN'-methyl-N-pentyl-N'-(pyridin-3-ylmethyl)ethane-1,2-diamine
SMILESCCCCCNCCN(C)Cc1cccnc1
InChIInChI=1S/C14H25N3/c1-3-4-5-8-15-10-11-17(2)13-14-7-6-9-16-12-14/h6-7,9,12,15H,3-5,8,10-11,13H2,1-2H3
InChIKeyWCHQBRCSPNOKLY-UHFFFAOYSA-N
XLogP2.29
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.38
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N'-methyl-N-pentyl-N'-(pyridin-3-ylmethyl)ethane-1,2-diamine 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-(3-ethoxypropyl)-N'-methyl-N'-(pyridin-3-ylmethyl)ethane-1,2-diamine
CID 62560243
N'-methyl-N'-(pyridin-3-ylmethyl)-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 62559877
N-(pyridin-3-ylmethyl)heptan-1-amine
CID 4716863
N'-methyl-N'-[(4-methylphenyl)methyl]-N-pentylethane-1,2-diamine
CID 62573254
N-(pyridin-3-ylmethyl)octan-1-amine;hydrochloride
CID 17331176
1-(4-butylphenyl)-N-methyl-N-(pyridin-3-ylmethyl)methanamine
CID 173272882
N-methyl-N-[methyl(pyridin-3-ylmethyl)sulfamoyl]butan-1-amine
CID 86931183
N'-methyl-N'-(pyridin-3-ylmethyl)butane-1,4-diamine
CID 43563175
3-bromo-N-methyl-N-(pyridin-3-ylmethyl)propan-1-amine
CID 61286516
1-N-methyl-4-N-propyl-1-N-(pyridin-3-ylmethyl)hexane-1,4-diamine
CID 106799376
3-butyl-1-methyl-1-(pyridin-3-ylmethyl)urea
CID 78786414
N'-(furan-3-ylmethyl)-N'-methyl-N-(pyridin-3-ylmethyl)ethane-1,2-diamine
CID 62558554

Frequently Asked Questions

What is the IUPAC name of N'-methyl-N-pentyl-N'-(pyridin-3-ylmethyl)ethane-1,2-diamine?
The IUPAC name of N'-methyl-N-pentyl-N'-(pyridin-3-ylmethyl)ethane-1,2-diamine (CID 62560428) is N'-methyl-N-pentyl-N'-(pyridin-3-ylmethyl)ethane-1,2-diamine.
What is the SMILES notation for N'-methyl-N-pentyl-N'-(pyridin-3-ylmethyl)ethane-1,2-diamine?
The canonical SMILES for N'-methyl-N-pentyl-N'-(pyridin-3-ylmethyl)ethane-1,2-diamine is CCCCCNCCN(C)Cc1cccnc1.
What is the InChIKey of N'-methyl-N-pentyl-N'-(pyridin-3-ylmethyl)ethane-1,2-diamine?
The InChIKey is WCHQBRCSPNOKLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3/c1-3-4-5-8-15-10-11-17(2)13-14-7-6-9-16-12-14/h6-7,9,12,15H,3-5,8,10-11,13H2,1-2H3.
What are the key properties of N'-methyl-N-pentyl-N'-(pyridin-3-ylmethyl)ethane-1,2-diamine?
N'-methyl-N-pentyl-N'-(pyridin-3-ylmethyl)ethane-1,2-diamine has a molecular weight of 235.38 g/mol, XLogP of 2.29, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N-pentyl-N'-(pyridin-3-ylmethyl)ethane-1,2-diamine is sourced from PubChem (CID 62560428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).