N'-[2-(1-aminopropyl)phenyl]-N,N,N'-triethylpropane-1,3-diamine

C18H33N3 — CID 102994199

IUPACN'-[2-(1-aminopropyl)phenyl]-N,N,N'-triethylpropane-1,3-diamine
SMILESCCC(N)c1ccccc1N(CC)CCCN(CC)CC
InChIInChI=1S/C18H33N3/c1-5-17(19)16-12-9-10-13-18(16)21(8-4)15-11-14-20(6-2)7-3/h9-10,12-13,17H,5-8,11,14-15,19H2,1-4H3
InChIKeyKNNKUSQBMTYUAI-UHFFFAOYSA-N
MW291.48 g/mol
LogP3.65
Rot. Bonds10

About N'-[2-(1-aminopropyl)phenyl]-N,N,N'-triethylpropane-1,3-diamine

N'-[2-(1-aminopropyl)phenyl]-N,N,N'-triethylpropane-1,3-diamine (PubChem CID 102994199) has the molecular formula C18H33N3 and a molecular weight of 291.48 g/mol. Its IUPAC name is N'-[2-(1-aminopropyl)phenyl]-N,N,N'-triethylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-[2-(1-aminopropyl)phenyl]-N,N,N'-triethylpropane-1,3-diamine
PubChem CID102994199
Molecular FormulaC18H33N3
Molecular Weight291.48 g/mol
Exact Mass291.27
IUPAC NameN'-[2-(1-aminopropyl)phenyl]-N,N,N'-triethylpropane-1,3-diamine
SMILESCCC(N)c1ccccc1N(CC)CCCN(CC)CC
InChIInChI=1S/C18H33N3/c1-5-17(19)16-12-9-10-13-18(16)21(8-4)15-11-14-20(6-2)7-3/h9-10,12-13,17H,5-8,11,14-15,19H2,1-4H3
InChIKeyKNNKUSQBMTYUAI-UHFFFAOYSA-N
XLogP3.65
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.48
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(1-aminopropyl)-N-ethylanilino]ethanol
CID 112677936
2-(1-aminopropyl)-N-ethyl-N-(2-methoxyethyl)aniline
CID 112678005
1-[2-[(1R)-1-aminopropyl]-N-ethylanilino]-2-methylpropan-2-ol
CID 103959017
2-(1-aminopropyl)-N-ethyl-N-methylaniline
CID 23460228
2-(1-aminopropyl)-N,N-dimethylaniline
CID 112704132
(1S)-1-[2-[3-(dimethylamino)propyl-ethylamino]phenyl]propan-1-ol
CID 102994867
1-[2-[2-(diethylamino)ethylsulfanyl]phenyl]propan-1-amine
CID 112678701
3-N-[3-(diethylamino)propyl]-3-N-ethyl-2-methylbenzene-1,3-diamine
CID 102991274
N'-[2-(1-aminopropyl)phenyl]-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine
CID 115995090
2-[2-[(1R)-1-aminoethyl]-N-ethylanilino]ethanol
CID 78934890
2-[3-(diethylamino)propyl-ethylamino]benzoic acid
CID 102994009
N'-(2-amino-2-phenylethyl)-N,N,N'-triethylpropane-1,3-diamine
CID 102992514

Frequently Asked Questions

What is the IUPAC name of N'-[2-(1-aminopropyl)phenyl]-N,N,N'-triethylpropane-1,3-diamine?
The IUPAC name of N'-[2-(1-aminopropyl)phenyl]-N,N,N'-triethylpropane-1,3-diamine (CID 102994199) is N'-[2-(1-aminopropyl)phenyl]-N,N,N'-triethylpropane-1,3-diamine.
What is the SMILES notation for N'-[2-(1-aminopropyl)phenyl]-N,N,N'-triethylpropane-1,3-diamine?
The canonical SMILES for N'-[2-(1-aminopropyl)phenyl]-N,N,N'-triethylpropane-1,3-diamine is CCC(N)c1ccccc1N(CC)CCCN(CC)CC.
What is the InChIKey of N'-[2-(1-aminopropyl)phenyl]-N,N,N'-triethylpropane-1,3-diamine?
The InChIKey is KNNKUSQBMTYUAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33N3/c1-5-17(19)16-12-9-10-13-18(16)21(8-4)15-11-14-20(6-2)7-3/h9-10,12-13,17H,5-8,11,14-15,19H2,1-4H3.
What are the key properties of N'-[2-(1-aminopropyl)phenyl]-N,N,N'-triethylpropane-1,3-diamine?
N'-[2-(1-aminopropyl)phenyl]-N,N,N'-triethylpropane-1,3-diamine has a molecular weight of 291.48 g/mol, XLogP of 3.65, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(1-aminopropyl)phenyl]-N,N,N'-triethylpropane-1,3-diamine is sourced from PubChem (CID 102994199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).