4-N-[2-(dimethylamino)ethyl]-1-N,4-N-dimethylbenzene-1,4-diamine

C12H21N3 — CID 117029041

IUPAC4-N-[2-(dimethylamino)ethyl]-1-N,4-N-dimethylbenzene-1,4-diamine
SMILESCNc1ccc(N(C)CCN(C)C)cc1
InChIInChI=1S/C12H21N3/c1-13-11-5-7-12(8-6-11)15(4)10-9-14(2)3/h5-8,13H,9-10H2,1-4H3
InChIKeyRBFJFRMJUSPETQ-UHFFFAOYSA-N
MW207.32 g/mol
LogP1.73
Rot. Bonds5

About 4-N-[2-(dimethylamino)ethyl]-1-N,4-N-dimethylbenzene-1,4-diamine

4-N-[2-(dimethylamino)ethyl]-1-N,4-N-dimethylbenzene-1,4-diamine (PubChem CID 117029041) has the molecular formula C12H21N3 and a molecular weight of 207.32 g/mol. Its IUPAC name is 4-N-[2-(dimethylamino)ethyl]-1-N,4-N-dimethylbenzene-1,4-diamine.

Molecular Properties

Compound Name4-N-[2-(dimethylamino)ethyl]-1-N,4-N-dimethylbenzene-1,4-diamine
PubChem CID117029041
Molecular FormulaC12H21N3
Molecular Weight207.32 g/mol
Exact Mass207.17
IUPAC Name4-N-[2-(dimethylamino)ethyl]-1-N,4-N-dimethylbenzene-1,4-diamine
SMILESCNc1ccc(N(C)CCN(C)C)cc1
InChIInChI=1S/C12H21N3/c1-13-11-5-7-12(8-6-11)15(4)10-9-14(2)3/h5-8,13H,9-10H2,1-4H3
InChIKeyRBFJFRMJUSPETQ-UHFFFAOYSA-N
XLogP1.73
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-N-[2-(dimethylamino)ethyl]-1-N,4-N-dimethylbenzene-1,4-diamine?
The IUPAC name of 4-N-[2-(dimethylamino)ethyl]-1-N,4-N-dimethylbenzene-1,4-diamine (CID 117029041) is 4-N-[2-(dimethylamino)ethyl]-1-N,4-N-dimethylbenzene-1,4-diamine.
What is the SMILES notation for 4-N-[2-(dimethylamino)ethyl]-1-N,4-N-dimethylbenzene-1,4-diamine?
The canonical SMILES for 4-N-[2-(dimethylamino)ethyl]-1-N,4-N-dimethylbenzene-1,4-diamine is CNc1ccc(N(C)CCN(C)C)cc1.
What is the InChIKey of 4-N-[2-(dimethylamino)ethyl]-1-N,4-N-dimethylbenzene-1,4-diamine?
The InChIKey is RBFJFRMJUSPETQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3/c1-13-11-5-7-12(8-6-11)15(4)10-9-14(2)3/h5-8,13H,9-10H2,1-4H3.
What are the key properties of 4-N-[2-(dimethylamino)ethyl]-1-N,4-N-dimethylbenzene-1,4-diamine?
4-N-[2-(dimethylamino)ethyl]-1-N,4-N-dimethylbenzene-1,4-diamine has a molecular weight of 207.32 g/mol, XLogP of 1.73, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[2-(dimethylamino)ethyl]-1-N,4-N-dimethylbenzene-1,4-diamine is sourced from PubChem (CID 117029041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).