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

C15H28N4 — CID 102991383

IUPACN'-[2-(aminomethyl)-3-pyridinyl]-N,N,N'-triethylpropane-1,3-diamine
SMILESCCN(CC)CCCN(CC)c1cccnc1CN
InChIInChI=1S/C15H28N4/c1-4-18(5-2)11-8-12-19(6-3)15-9-7-10-17-14(15)13-16/h7,9-10H,4-6,8,11-13,16H2,1-3H3
InChIKeyGBUSPMNTECHMJD-UHFFFAOYSA-N
MW264.42 g/mol
LogP2.10
Rot. Bonds9

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

N'-[2-(aminomethyl)-3-pyridinyl]-N,N,N'-triethylpropane-1,3-diamine (PubChem CID 102991383) has the molecular formula C15H28N4 and a molecular weight of 264.42 g/mol. Its IUPAC name is N'-[2-(aminomethyl)-3-pyridinyl]-N,N,N'-triethylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-[2-(aminomethyl)-3-pyridinyl]-N,N,N'-triethylpropane-1,3-diamine
PubChem CID102991383
Molecular FormulaC15H28N4
Molecular Weight264.42 g/mol
Exact Mass264.23
IUPAC NameN'-[2-(aminomethyl)-3-pyridinyl]-N,N,N'-triethylpropane-1,3-diamine
SMILESCCN(CC)CCCN(CC)c1cccnc1CN
InChIInChI=1S/C15H28N4/c1-4-18(5-2)11-8-12-19(6-3)15-9-7-10-17-14(15)13-16/h7,9-10H,4-6,8,11-13,16H2,1-3H3
InChIKeyGBUSPMNTECHMJD-UHFFFAOYSA-N
XLogP2.10
TPSA45.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.42
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N'-[2-(aminomethyl)-3-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

3-N-[3-(diethylamino)propyl]-3-N-ethyl-2-methylbenzene-1,3-diamine
CID 102991274
3-[3-(dimethylamino)propyl-ethylamino]pyridine-2-carbothioamide
CID 102993394
N'-[2-(aminomethyl)-4-methylphenyl]-N,N,N'-triethylpropane-1,3-diamine
CID 107926377
N'-[2-(1-aminopropyl)phenyl]-N,N,N'-triethylpropane-1,3-diamine
CID 102994199
N'-[3-(aminomethyl)-2,6-dimethyl-4-pyridinyl]-N,N,N'-triethylpropane-1,3-diamine
CID 102991366
2-[3-(diethylamino)propyl-ethylamino]benzoic acid
CID 102994009
N'-ethyl-N'-quinolin-8-ylethane-1,2-diamine
CID 114900586
3-N,3-N-diethylpyridine-2,3-diamine
CID 54572211
N'-[3-(aminomethyl)-6-methyl-2-pyridinyl]-N,N,N'-triethylpropane-1,3-diamine
CID 102991359
N'-ethyl-N'-[(3-methyl-2-pyridinyl)methyl]ethane-1,2-diamine
CID 112649922
2-(aminomethyl)-N,N-dibutylpyridine-3-sulfonamide
CID 106593797
2-(aminomethyl)-3-bromo-N-butyl-N-ethylaniline
CID 114879435

Frequently Asked Questions

What is the IUPAC name of N'-[2-(aminomethyl)-3-pyridinyl]-N,N,N'-triethylpropane-1,3-diamine?
The IUPAC name of N'-[2-(aminomethyl)-3-pyridinyl]-N,N,N'-triethylpropane-1,3-diamine (CID 102991383) is N'-[2-(aminomethyl)-3-pyridinyl]-N,N,N'-triethylpropane-1,3-diamine.
What is the SMILES notation for N'-[2-(aminomethyl)-3-pyridinyl]-N,N,N'-triethylpropane-1,3-diamine?
The canonical SMILES for N'-[2-(aminomethyl)-3-pyridinyl]-N,N,N'-triethylpropane-1,3-diamine is CCN(CC)CCCN(CC)c1cccnc1CN.
What is the InChIKey of N'-[2-(aminomethyl)-3-pyridinyl]-N,N,N'-triethylpropane-1,3-diamine?
The InChIKey is GBUSPMNTECHMJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4/c1-4-18(5-2)11-8-12-19(6-3)15-9-7-10-17-14(15)13-16/h7,9-10H,4-6,8,11-13,16H2,1-3H3.
What are the key properties of N'-[2-(aminomethyl)-3-pyridinyl]-N,N,N'-triethylpropane-1,3-diamine?
N'-[2-(aminomethyl)-3-pyridinyl]-N,N,N'-triethylpropane-1,3-diamine has a molecular weight of 264.42 g/mol, XLogP of 2.10, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(aminomethyl)-3-pyridinyl]-N,N,N'-triethylpropane-1,3-diamine is sourced from PubChem (CID 102991383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).