3-N-[3-(diethylamino)propyl]-3-N-ethyl-2-methylbenzene-1,3-diamine

C16H29N3 — CID 102991274

IUPAC3-N-[3-(diethylamino)propyl]-3-N-ethyl-2-methylbenzene-1,3-diamine
SMILESCCN(CC)CCCN(CC)c1cccc(N)c1C
InChIInChI=1S/C16H29N3/c1-5-18(6-2)12-9-13-19(7-3)16-11-8-10-15(17)14(16)4/h8,10-11H,5-7,9,12-13,17H2,1-4H3
InChIKeyLQPAANSFEBUBLV-UHFFFAOYSA-N
MW263.43 g/mol
LogP3.14
Rot. Bonds8

About 3-N-[3-(diethylamino)propyl]-3-N-ethyl-2-methylbenzene-1,3-diamine

3-N-[3-(diethylamino)propyl]-3-N-ethyl-2-methylbenzene-1,3-diamine (PubChem CID 102991274) has the molecular formula C16H29N3 and a molecular weight of 263.43 g/mol. Its IUPAC name is 3-N-[3-(diethylamino)propyl]-3-N-ethyl-2-methylbenzene-1,3-diamine.

Molecular Properties

Compound Name3-N-[3-(diethylamino)propyl]-3-N-ethyl-2-methylbenzene-1,3-diamine
PubChem CID102991274
Molecular FormulaC16H29N3
Molecular Weight263.43 g/mol
Exact Mass263.24
IUPAC Name3-N-[3-(diethylamino)propyl]-3-N-ethyl-2-methylbenzene-1,3-diamine
SMILESCCN(CC)CCCN(CC)c1cccc(N)c1C
InChIInChI=1S/C16H29N3/c1-5-18(6-2)12-9-13-19(7-3)16-11-8-10-15(17)14(16)4/h8,10-11H,5-7,9,12-13,17H2,1-4H3
InChIKeyLQPAANSFEBUBLV-UHFFFAOYSA-N
XLogP3.14
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.43
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-(3-amino-N-ethyl-2-methylanilino)propanenitrile
CID 63062738
3-N-ethyl-3-N-(2-ethylbutyl)-2-methylbenzene-1,3-diamine
CID 63076761
3-amino-2-[3-(diethylamino)propyl-ethylamino]benzoic acid
CID 102995981
N'-(2,3-dimethylphenyl)-N'-ethylpropane-1,3-diamine
CID 28772955
2-N-[3-(diethylamino)propyl]-2-N-ethyl-4-fluorobenzene-1,2-diamine
CID 102991223
N'-[2-(1-aminopropyl)phenyl]-N,N,N'-triethylpropane-1,3-diamine
CID 102994199
3-[butyl(ethyl)amino]-2-methylphenol
CID 57208066
N'-[2-(aminomethyl)-3-pyridinyl]-N,N,N'-triethylpropane-1,3-diamine
CID 102991383
2-N-[3-(diethylamino)propyl]-2-N-ethyl-3,4-difluorobenzene-1,2-diamine
CID 102991239
2-[3-(diethylamino)propyl-ethylamino]benzoic acid
CID 102994009
N'-[2-(aminomethyl)-4-methylphenyl]-N,N,N'-triethylpropane-1,3-diamine
CID 107926377
3-N-[2-(diethylamino)ethyl]-2-methylbenzene-1,3-diamine
CID 63076066

Frequently Asked Questions

What is the IUPAC name of 3-N-[3-(diethylamino)propyl]-3-N-ethyl-2-methylbenzene-1,3-diamine?
The IUPAC name of 3-N-[3-(diethylamino)propyl]-3-N-ethyl-2-methylbenzene-1,3-diamine (CID 102991274) is 3-N-[3-(diethylamino)propyl]-3-N-ethyl-2-methylbenzene-1,3-diamine.
What is the SMILES notation for 3-N-[3-(diethylamino)propyl]-3-N-ethyl-2-methylbenzene-1,3-diamine?
The canonical SMILES for 3-N-[3-(diethylamino)propyl]-3-N-ethyl-2-methylbenzene-1,3-diamine is CCN(CC)CCCN(CC)c1cccc(N)c1C.
What is the InChIKey of 3-N-[3-(diethylamino)propyl]-3-N-ethyl-2-methylbenzene-1,3-diamine?
The InChIKey is LQPAANSFEBUBLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3/c1-5-18(6-2)12-9-13-19(7-3)16-11-8-10-15(17)14(16)4/h8,10-11H,5-7,9,12-13,17H2,1-4H3.
What are the key properties of 3-N-[3-(diethylamino)propyl]-3-N-ethyl-2-methylbenzene-1,3-diamine?
3-N-[3-(diethylamino)propyl]-3-N-ethyl-2-methylbenzene-1,3-diamine has a molecular weight of 263.43 g/mol, XLogP of 3.14, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-[3-(diethylamino)propyl]-3-N-ethyl-2-methylbenzene-1,3-diamine is sourced from PubChem (CID 102991274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).