N-[2-(N-ethyl-3-methylanilino)ethyl]-N',N'-dimethylpropane-1,3-diamine

C16H29N3 — CID 62561635

IUPACN-[2-(N-ethyl-3-methylanilino)ethyl]-N',N'-dimethylpropane-1,3-diamine
SMILESCCN(CCNCCCN(C)C)c1cccc(C)c1
InChIInChI=1S/C16H29N3/c1-5-19(16-9-6-8-15(2)14-16)13-11-17-10-7-12-18(3)4/h6,8-9,14,17H,5,7,10-13H2,1-4H3
InChIKeyLFXQFQWPUUFODL-UHFFFAOYSA-N
MW263.43 g/mol
LogP2.36
Rot. Bonds9

About N-[2-(N-ethyl-3-methylanilino)ethyl]-N',N'-dimethylpropane-1,3-diamine

N-[2-(N-ethyl-3-methylanilino)ethyl]-N',N'-dimethylpropane-1,3-diamine (PubChem CID 62561635) has the molecular formula C16H29N3 and a molecular weight of 263.43 g/mol. Its IUPAC name is N-[2-(N-ethyl-3-methylanilino)ethyl]-N',N'-dimethylpropane-1,3-diamine.

Molecular Properties

Compound NameN-[2-(N-ethyl-3-methylanilino)ethyl]-N',N'-dimethylpropane-1,3-diamine
PubChem CID62561635
Molecular FormulaC16H29N3
Molecular Weight263.43 g/mol
Exact Mass263.24
IUPAC NameN-[2-(N-ethyl-3-methylanilino)ethyl]-N',N'-dimethylpropane-1,3-diamine
SMILESCCN(CCNCCCN(C)C)c1cccc(C)c1
InChIInChI=1S/C16H29N3/c1-5-19(16-9-6-8-15(2)14-16)13-11-17-10-7-12-18(3)4/h6,8-9,14,17H,5,7,10-13H2,1-4H3
InChIKeyLFXQFQWPUUFODL-UHFFFAOYSA-N
XLogP2.36
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.43
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N'-ethyl-N-(3-methoxypropyl)-N'-(3-methylphenyl)ethane-1,2-diamine
CID 62561630
N,N'-diethyl-N,N'-bis(3-methylphenyl)propane-1,3-diamine
CID 57172568
N,N'-diethyl-N,N'-bis(3-methylphenyl)hexane-1,6-diamine
CID 91719494
N-(cyclopropylmethyl)-N'-ethyl-N'-(3-methylphenyl)ethane-1,2-diamine
CID 61077282
N-tert-butyl-N'-ethyl-N'-(3-methylphenyl)propane-1,3-diamine
CID 61077284
N'-ethyl-N'-(3-methylphenyl)-N-propan-2-ylethane-1,2-diamine
CID 20811771
1-[2-(N-ethyl-3-methylanilino)ethyl]-3-(3-hydroxypropyl)urea
CID 110892216
ethane;2-(N-ethyl-3-methylanilino)ethanol
CID 142945476
N-[2-(dimethylamino)ethyl]-3-(N-ethyl-3-methylanilino)propanamide
CID 109016337
N-butan-2-yl-N'-ethyl-N'-(3-methylphenyl)ethane-1,2-diamine
CID 61077133
2-(N-ethylanilino)ethanol;2-(N-ethyl-3-methylanilino)ethanol
CID 67646691
CID 138691667
CID 138691667

Frequently Asked Questions

What is the IUPAC name of N-[2-(N-ethyl-3-methylanilino)ethyl]-N',N'-dimethylpropane-1,3-diamine?
The IUPAC name of N-[2-(N-ethyl-3-methylanilino)ethyl]-N',N'-dimethylpropane-1,3-diamine (CID 62561635) is N-[2-(N-ethyl-3-methylanilino)ethyl]-N',N'-dimethylpropane-1,3-diamine.
What is the SMILES notation for N-[2-(N-ethyl-3-methylanilino)ethyl]-N',N'-dimethylpropane-1,3-diamine?
The canonical SMILES for N-[2-(N-ethyl-3-methylanilino)ethyl]-N',N'-dimethylpropane-1,3-diamine is CCN(CCNCCCN(C)C)c1cccc(C)c1.
What is the InChIKey of N-[2-(N-ethyl-3-methylanilino)ethyl]-N',N'-dimethylpropane-1,3-diamine?
The InChIKey is LFXQFQWPUUFODL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3/c1-5-19(16-9-6-8-15(2)14-16)13-11-17-10-7-12-18(3)4/h6,8-9,14,17H,5,7,10-13H2,1-4H3.
What are the key properties of N-[2-(N-ethyl-3-methylanilino)ethyl]-N',N'-dimethylpropane-1,3-diamine?
N-[2-(N-ethyl-3-methylanilino)ethyl]-N',N'-dimethylpropane-1,3-diamine has a molecular weight of 263.43 g/mol, XLogP of 2.36, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(N-ethyl-3-methylanilino)ethyl]-N',N'-dimethylpropane-1,3-diamine is sourced from PubChem (CID 62561635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).