N'-[3-(aminomethyl)-2,6-dimethyl-4-pyridinyl]-N,N,N'-triethylpropane-1,3-diamine

C17H32N4 — CID 102991366

IUPACN'-[3-(aminomethyl)-2,6-dimethyl-4-pyridinyl]-N,N,N'-triethylpropane-1,3-diamine
SMILESCCN(CC)CCCN(CC)c1cc(C)nc(C)c1CN
InChIInChI=1S/C17H32N4/c1-6-20(7-2)10-9-11-21(8-3)17-12-14(4)19-15(5)16(17)13-18/h12H,6-11,13,18H2,1-5H3
InChIKeyKLYFSDDAFSJQBH-UHFFFAOYSA-N
MW292.47 g/mol
LogP2.72
Rot. Bonds9

About N'-[3-(aminomethyl)-2,6-dimethyl-4-pyridinyl]-N,N,N'-triethylpropane-1,3-diamine

N'-[3-(aminomethyl)-2,6-dimethyl-4-pyridinyl]-N,N,N'-triethylpropane-1,3-diamine (PubChem CID 102991366) has the molecular formula C17H32N4 and a molecular weight of 292.47 g/mol. Its IUPAC name is N'-[3-(aminomethyl)-2,6-dimethyl-4-pyridinyl]-N,N,N'-triethylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-[3-(aminomethyl)-2,6-dimethyl-4-pyridinyl]-N,N,N'-triethylpropane-1,3-diamine
PubChem CID102991366
Molecular FormulaC17H32N4
Molecular Weight292.47 g/mol
Exact Mass292.26
IUPAC NameN'-[3-(aminomethyl)-2,6-dimethyl-4-pyridinyl]-N,N,N'-triethylpropane-1,3-diamine
SMILESCCN(CC)CCCN(CC)c1cc(C)nc(C)c1CN
InChIInChI=1S/C17H32N4/c1-6-20(7-2)10-9-11-21(8-3)17-12-14(4)19-15(5)16(17)13-18/h12H,6-11,13,18H2,1-5H3
InChIKeyKLYFSDDAFSJQBH-UHFFFAOYSA-N
XLogP2.72
TPSA45.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.47
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N'-[3-(aminomethyl)-2,6-dimethyl-4-pyridinyl]-N,N,N'-triethylpropane-1,3-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'-[2-(aminomethyl)-4-methylphenyl]-N,N,N'-triethylpropane-1,3-diamine
CID 107926377
N'-[3-(aminomethyl)-2,6-dimethyl-4-pyridinyl]-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine
CID 81051177
N'-[3-(aminomethyl)-6-methyl-2-pyridinyl]-N,N,N'-triethylpropane-1,3-diamine
CID 102991359
4-[3-(diethylamino)propyl-ethylamino]-6-methylpyridine-3-carboxylic acid
CID 102994015
4-[3-(dimethylamino)propyl-ethylamino]-2,6-dimethylpyridine-3-carbothioamide
CID 102993405
3-(aminomethyl)-N-ethyl-2,6-dimethyl-N-(3-methylphenyl)pyridin-4-amine
CID 81050456
3-[[3-(aminomethyl)-2,6-dimethyl-4-pyridinyl]-ethylamino]-4-methylphenol
CID 107733638
3-(aminomethyl)-N,2,6-trimethyl-N-(3-phenylpropyl)pyridin-4-amine
CID 81049487
N'-[2-(aminomethyl)-3-pyridinyl]-N,N,N'-triethylpropane-1,3-diamine
CID 102991383
[2-[3-(diethylamino)propyl-ethylamino]-6-methyl-4-pyridinyl]methanol
CID 102996011
3-(aminomethyl)-N-(2-methoxyethyl)-2,6-dimethyl-N-pentan-3-ylpyridin-4-amine
CID 81050384
4-[butyl(ethyl)amino]-2,6-dimethylpyridine-3-carboximidamide
CID 81054878

Frequently Asked Questions

What is the IUPAC name of N'-[3-(aminomethyl)-2,6-dimethyl-4-pyridinyl]-N,N,N'-triethylpropane-1,3-diamine?
The IUPAC name of N'-[3-(aminomethyl)-2,6-dimethyl-4-pyridinyl]-N,N,N'-triethylpropane-1,3-diamine (CID 102991366) is N'-[3-(aminomethyl)-2,6-dimethyl-4-pyridinyl]-N,N,N'-triethylpropane-1,3-diamine.
What is the SMILES notation for N'-[3-(aminomethyl)-2,6-dimethyl-4-pyridinyl]-N,N,N'-triethylpropane-1,3-diamine?
The canonical SMILES for N'-[3-(aminomethyl)-2,6-dimethyl-4-pyridinyl]-N,N,N'-triethylpropane-1,3-diamine is CCN(CC)CCCN(CC)c1cc(C)nc(C)c1CN.
What is the InChIKey of N'-[3-(aminomethyl)-2,6-dimethyl-4-pyridinyl]-N,N,N'-triethylpropane-1,3-diamine?
The InChIKey is KLYFSDDAFSJQBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N4/c1-6-20(7-2)10-9-11-21(8-3)17-12-14(4)19-15(5)16(17)13-18/h12H,6-11,13,18H2,1-5H3.
What are the key properties of N'-[3-(aminomethyl)-2,6-dimethyl-4-pyridinyl]-N,N,N'-triethylpropane-1,3-diamine?
N'-[3-(aminomethyl)-2,6-dimethyl-4-pyridinyl]-N,N,N'-triethylpropane-1,3-diamine has a molecular weight of 292.47 g/mol, XLogP of 2.72, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3-(aminomethyl)-2,6-dimethyl-4-pyridinyl]-N,N,N'-triethylpropane-1,3-diamine is sourced from PubChem (CID 102991366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).