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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Related Compounds

2-N-[2-(dimethylamino)ethyl]-2-N,5-N-dimethylpyridine-2,5-diamine
CID 143709884
ethane;N,N,N'-trimethyl-N'-phenylethane-1,2-diamine
CID 177320801
4-N-(2-cyclopentylethyl)-1-N,4-N-dimethylbenzene-1,4-diamine
CID 117041491
1-N,4-N-dimethyl-4-N-[4-(methylamino)phenyl]benzene-1,4-diamine
CID 21331414
1-N,4-N-dimethyl-4-N-[2-(1H-pyrrol-2-yl)ethyl]benzene-1,4-diamine
CID 117041478
N,N,N'-trimethyl-N'-[2-(N-methylanilino)ethyl]ethane-1,2-diamine
CID 70599954
N'-[4-(1-aminoethyl)phenyl]-N,N,N'-trimethylethane-1,2-diamine
CID 63694558
1-N,4-N-dimethyl-4-N-[2-(3-methylphenyl)ethyl]benzene-1,4-diamine
CID 117041484
4-[(dimethylamino)methyl]-N-methylaniline
CID 59619039
4-[(4-chloro-N-methylanilino)methyl]-N-methylaniline
CID 115212691
4-[(4-fluoro-N-methylanilino)methyl]-N-methylaniline
CID 115212690
N-methyl-N-[4-(methylamino)phenyl]hydroxylamine
CID 146340340

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).