N'-(2-anilinoethyl)-N,N,N'-triethylpropane-1,3-diamine

C17H31N3 — CID 102994521

IUPACN'-(2-anilinoethyl)-N,N,N'-triethylpropane-1,3-diamine
SMILESCCN(CC)CCCN(CC)CCNc1ccccc1
InChIInChI=1S/C17H31N3/c1-4-19(5-2)14-10-15-20(6-3)16-13-18-17-11-8-7-9-12-17/h7-9,11-12,18H,4-6,10,13-16H2,1-3H3
InChIKeyBMFNAEVIDBTPLH-UHFFFAOYSA-N
MW277.46 g/mol
LogP3.15
Rot. Bonds11

About N'-(2-anilinoethyl)-N,N,N'-triethylpropane-1,3-diamine

N'-(2-anilinoethyl)-N,N,N'-triethylpropane-1,3-diamine (PubChem CID 102994521) has the molecular formula C17H31N3 and a molecular weight of 277.46 g/mol. Its IUPAC name is N'-(2-anilinoethyl)-N,N,N'-triethylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-(2-anilinoethyl)-N,N,N'-triethylpropane-1,3-diamine
PubChem CID102994521
Molecular FormulaC17H31N3
Molecular Weight277.46 g/mol
Exact Mass277.25
IUPAC NameN'-(2-anilinoethyl)-N,N,N'-triethylpropane-1,3-diamine
SMILESCCN(CC)CCCN(CC)CCNc1ccccc1
InChIInChI=1S/C17H31N3/c1-4-19(5-2)14-10-15-20(6-3)16-13-18-17-11-8-7-9-12-17/h7-9,11-12,18H,4-6,10,13-16H2,1-3H3
InChIKeyBMFNAEVIDBTPLH-UHFFFAOYSA-N
XLogP3.15
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.46
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N'-ethyl-N,N-dimethyl-N'-[2-(3-methylanilino)ethyl]propane-1,3-diamine
CID 102997765
N'-[2-(3-chloroanilino)ethyl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine
CID 102997769
N',N'-bis(2-methylpropyl)-N-phenylethane-1,2-diamine
CID 61378856
N'-benzyl-N-phenyl-N'-propylethane-1,2-diamine
CID 90274197
N'-(cyclobutylmethyl)-N'-ethyl-N-phenylpropane-1,3-diamine
CID 107402188
4-[2-(diethylamino)ethyl]-N-(3-phenylpropyl)aniline
CID 83963050
N-[4-(aminomethyl)phenyl]-N',N'-diethylethane-1,2-diamine
CID 22693574
N'-ethyl-N,N-dimethyl-N'-[2-(2-methylanilino)ethyl]propane-1,3-diamine
CID 102997809
N'-benzyl-N-(4-bromophenyl)-N'-ethylethane-1,2-diamine
CID 63502514
ethane;N'-methyl-N,N'-diphenylethane-1,2-diamine
CID 142921032
2-N-(2-anilinoethyl)-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine
CID 103189572
3-[3-(diethylamino)propylamino]phenol
CID 83813650

Frequently Asked Questions

What is the IUPAC name of N'-(2-anilinoethyl)-N,N,N'-triethylpropane-1,3-diamine?
The IUPAC name of N'-(2-anilinoethyl)-N,N,N'-triethylpropane-1,3-diamine (CID 102994521) is N'-(2-anilinoethyl)-N,N,N'-triethylpropane-1,3-diamine.
What is the SMILES notation for N'-(2-anilinoethyl)-N,N,N'-triethylpropane-1,3-diamine?
The canonical SMILES for N'-(2-anilinoethyl)-N,N,N'-triethylpropane-1,3-diamine is CCN(CC)CCCN(CC)CCNc1ccccc1.
What is the InChIKey of N'-(2-anilinoethyl)-N,N,N'-triethylpropane-1,3-diamine?
The InChIKey is BMFNAEVIDBTPLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3/c1-4-19(5-2)14-10-15-20(6-3)16-13-18-17-11-8-7-9-12-17/h7-9,11-12,18H,4-6,10,13-16H2,1-3H3.
What are the key properties of N'-(2-anilinoethyl)-N,N,N'-triethylpropane-1,3-diamine?
N'-(2-anilinoethyl)-N,N,N'-triethylpropane-1,3-diamine has a molecular weight of 277.46 g/mol, XLogP of 3.15, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-anilinoethyl)-N,N,N'-triethylpropane-1,3-diamine is sourced from PubChem (CID 102994521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).