N,N,N'-triethyl-N'-[4-(methylaminomethyl)phenyl]propane-1,3-diamine

C17H31N3 — CID 102995290

IUPACN,N,N'-triethyl-N'-[4-(methylaminomethyl)phenyl]propane-1,3-diamine
SMILESCCN(CC)CCCN(CC)c1ccc(CNC)cc1
InChIInChI=1S/C17H31N3/c1-5-19(6-2)13-8-14-20(7-3)17-11-9-16(10-12-17)15-18-4/h9-12,18H,5-8,13-15H2,1-4H3
InChIKeyMYPZGOVJVYZILO-UHFFFAOYSA-N
MW277.46 g/mol
LogP2.96
Rot. Bonds10

About N,N,N'-triethyl-N'-[4-(methylaminomethyl)phenyl]propane-1,3-diamine

N,N,N'-triethyl-N'-[4-(methylaminomethyl)phenyl]propane-1,3-diamine (PubChem CID 102995290) has the molecular formula C17H31N3 and a molecular weight of 277.46 g/mol. Its IUPAC name is N,N,N'-triethyl-N'-[4-(methylaminomethyl)phenyl]propane-1,3-diamine.

Molecular Properties

Compound NameN,N,N'-triethyl-N'-[4-(methylaminomethyl)phenyl]propane-1,3-diamine
PubChem CID102995290
Molecular FormulaC17H31N3
Molecular Weight277.46 g/mol
Exact Mass277.25
IUPAC NameN,N,N'-triethyl-N'-[4-(methylaminomethyl)phenyl]propane-1,3-diamine
SMILESCCN(CC)CCCN(CC)c1ccc(CNC)cc1
InChIInChI=1S/C17H31N3/c1-5-19(6-2)13-8-14-20(7-3)17-11-9-16(10-12-17)15-18-4/h9-12,18H,5-8,13-15H2,1-4H3
InChIKeyMYPZGOVJVYZILO-UHFFFAOYSA-N
XLogP2.96
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.46
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

N,N,N'-triethyl-N'-[5-(methylaminomethyl)-2-pyridinyl]propane-1,3-diamine
CID 102995293
N'-[4-(2-aminoethyl)phenyl]-N,N,N'-triethylpropane-1,3-diamine
CID 102998280
N,N,N'-triethyl-N'-[4-fluoro-2-(methylaminomethyl)phenyl]propane-1,3-diamine
CID 102995296
N-methyl-4-(methylaminomethyl)-N-propylaniline
CID 43281892
4-[(tert-butylamino)methyl]-N-ethyl-N-propylaniline
CID 55147217
4-(bromomethyl)-N-ethyl-N-propylaniline
CID 107079955
N-ethyl-2-methoxy-N-[[4-(methylaminomethyl)phenyl]methyl]ethanamine
CID 62434714
N-ethyl-N-methyl-3-[4-(methylaminomethyl)phenyl]propan-1-amine;molecular hydrogen;propane
CID 155739258
4-N-[3-(diethylamino)propyl]-4-N-ethyl-2-methoxybenzene-1,4-diamine
CID 102991287
N,N-dibutyl-4-[[4-(dibutylamino)phenyl]methyl]aniline
CID 67427433
2-[N-ethyl-4-(propylaminomethyl)anilino]ethanol
CID 54879735
4-[(tert-butylamino)methyl]-N,N-diethylaniline
CID 4719207

Frequently Asked Questions

What is the IUPAC name of N,N,N'-triethyl-N'-[4-(methylaminomethyl)phenyl]propane-1,3-diamine?
The IUPAC name of N,N,N'-triethyl-N'-[4-(methylaminomethyl)phenyl]propane-1,3-diamine (CID 102995290) is N,N,N'-triethyl-N'-[4-(methylaminomethyl)phenyl]propane-1,3-diamine.
What is the SMILES notation for N,N,N'-triethyl-N'-[4-(methylaminomethyl)phenyl]propane-1,3-diamine?
The canonical SMILES for N,N,N'-triethyl-N'-[4-(methylaminomethyl)phenyl]propane-1,3-diamine is CCN(CC)CCCN(CC)c1ccc(CNC)cc1.
What is the InChIKey of N,N,N'-triethyl-N'-[4-(methylaminomethyl)phenyl]propane-1,3-diamine?
The InChIKey is MYPZGOVJVYZILO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3/c1-5-19(6-2)13-8-14-20(7-3)17-11-9-16(10-12-17)15-18-4/h9-12,18H,5-8,13-15H2,1-4H3.
What are the key properties of N,N,N'-triethyl-N'-[4-(methylaminomethyl)phenyl]propane-1,3-diamine?
N,N,N'-triethyl-N'-[4-(methylaminomethyl)phenyl]propane-1,3-diamine has a molecular weight of 277.46 g/mol, XLogP of 2.96, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,N'-triethyl-N'-[4-(methylaminomethyl)phenyl]propane-1,3-diamine is sourced from PubChem (CID 102995290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).