2-N-ethyl-2-N-methylbenzene-1,2-diamine;quinoline

C18H21N3 — CID 143742378

IUPAC2-N-ethyl-2-N-methylbenzene-1,2-diamine;quinoline
SMILESCCN(C)c1ccccc1N.c1ccc2ncccc2c1
InChIInChI=1S/C9H14N2.C9H7N/c1-3-11(2)9-7-5-4-6-8(9)10;1-2-6-9-8(4-1)5-3-7-10-9/h4-7H,3,10H2,1-2H3;1-7H
InChIKeyZRXWISJOMGUYEX-UHFFFAOYSA-N
MW279.39 g/mol
LogP3.96
Rot. Bonds2

About 2-N-ethyl-2-N-methylbenzene-1,2-diamine;quinoline

2-N-ethyl-2-N-methylbenzene-1,2-diamine;quinoline (PubChem CID 143742378) has the molecular formula C18H21N3 and a molecular weight of 279.39 g/mol. Its IUPAC name is 2-N-ethyl-2-N-methylbenzene-1,2-diamine;quinoline.

Molecular Properties

Compound Name2-N-ethyl-2-N-methylbenzene-1,2-diamine;quinoline
PubChem CID143742378
Molecular FormulaC18H21N3
Molecular Weight279.39 g/mol
Exact Mass279.17
IUPAC Name2-N-ethyl-2-N-methylbenzene-1,2-diamine;quinoline
SMILESCCN(C)c1ccccc1N.c1ccc2ncccc2c1
InChIInChI=1S/C9H14N2.C9H7N/c1-3-11(2)9-7-5-4-6-8(9)10;1-2-6-9-8(4-1)5-3-7-10-9/h4-7H,3,10H2,1-2H3;1-7H
InChIKeyZRXWISJOMGUYEX-UHFFFAOYSA-N
XLogP3.96
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.39
LogP ≤ 53.96
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

2-N-ethyl-2-N-methylbenzene-1,2-diamine;dihydrochloride
CID 155970662
N,N-dimethylmethanamine;quinoline
CID 174404526
quinoline
CID 76974643
quinoline;tetramethylsilane
CID 91292784
CID 160566295
CID 160566295
osmium(2+);quinoline
CID 158407120
quinoline;silver
CID 88761492
CID 175273158
CID 175273158
hydron;quinoline
CID 131854096
CID 159709187
CID 159709187
platinum(2+);quinoline
CID 50910245
propan-1-ol;quinoline
CID 160910097

Frequently Asked Questions

What is the IUPAC name of 2-N-ethyl-2-N-methylbenzene-1,2-diamine;quinoline?
The IUPAC name of 2-N-ethyl-2-N-methylbenzene-1,2-diamine;quinoline (CID 143742378) is 2-N-ethyl-2-N-methylbenzene-1,2-diamine;quinoline.
What is the SMILES notation for 2-N-ethyl-2-N-methylbenzene-1,2-diamine;quinoline?
The canonical SMILES for 2-N-ethyl-2-N-methylbenzene-1,2-diamine;quinoline is CCN(C)c1ccccc1N.c1ccc2ncccc2c1.
What is the InChIKey of 2-N-ethyl-2-N-methylbenzene-1,2-diamine;quinoline?
The InChIKey is ZRXWISJOMGUYEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2.C9H7N/c1-3-11(2)9-7-5-4-6-8(9)10;1-2-6-9-8(4-1)5-3-7-10-9/h4-7H,3,10H2,1-2H3;1-7H.
What are the key properties of 2-N-ethyl-2-N-methylbenzene-1,2-diamine;quinoline?
2-N-ethyl-2-N-methylbenzene-1,2-diamine;quinoline has a molecular weight of 279.39 g/mol, XLogP of 3.96, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-ethyl-2-N-methylbenzene-1,2-diamine;quinoline is sourced from PubChem (CID 143742378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).