4-N,4-N-diethyl-1-N-(1-pyridin-4-ylethyl)benzene-1,4-diamine

C17H23N3 — CID 43680173

IUPAC4-N,4-N-diethyl-1-N-(1-pyridin-4-ylethyl)benzene-1,4-diamine
SMILESCCN(CC)c1ccc(NC(C)c2ccncc2)cc1
InChIInChI=1S/C17H23N3/c1-4-20(5-2)17-8-6-16(7-9-17)19-14(3)15-10-12-18-13-11-15/h6-14,19H,4-5H2,1-3H3
InChIKeyVSTFTWDKQLLYDB-UHFFFAOYSA-N
MW269.39 g/mol
LogP4.10
Rot. Bonds6

About 4-N,4-N-diethyl-1-N-(1-pyridin-4-ylethyl)benzene-1,4-diamine

4-N,4-N-diethyl-1-N-(1-pyridin-4-ylethyl)benzene-1,4-diamine (PubChem CID 43680173) has the molecular formula C17H23N3 and a molecular weight of 269.39 g/mol. Its IUPAC name is 4-N,4-N-diethyl-1-N-(1-pyridin-4-ylethyl)benzene-1,4-diamine.

Molecular Properties

Compound Name4-N,4-N-diethyl-1-N-(1-pyridin-4-ylethyl)benzene-1,4-diamine
PubChem CID43680173
Molecular FormulaC17H23N3
Molecular Weight269.39 g/mol
Exact Mass269.19
IUPAC Name4-N,4-N-diethyl-1-N-(1-pyridin-4-ylethyl)benzene-1,4-diamine
SMILESCCN(CC)c1ccc(NC(C)c2ccncc2)cc1
InChIInChI=1S/C17H23N3/c1-4-20(5-2)17-8-6-16(7-9-17)19-14(3)15-10-12-18-13-11-15/h6-14,19H,4-5H2,1-3H3
InChIKeyVSTFTWDKQLLYDB-UHFFFAOYSA-N
XLogP4.10
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 54.10
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

4-ethyl-N-(1-pyridin-4-ylethyl)aniline
CID 43195541
2-[4-(1-pyridin-4-ylethylamino)phenyl]acetonitrile
CID 43722275
4-N,4-N-diethyl-1-N-(4-methylpentan-2-yl)benzene-1,4-diamine
CID 43680171
4-nitro-N-(1-pyridin-4-ylethyl)aniline
CID 43396000
4-N,4-N-diethyl-1-N-hexan-3-ylbenzene-1,4-diamine
CID 114079510
3,5-dichloro-N-[(1S)-1-pyridin-4-ylethyl]aniline
CID 40545562
4-[(4-chloroanilino)-[4-(diethylamino)phenyl]methyl]-N,N-diethylaniline
CID 20537704
4-N,4-N-diethyl-1-N-heptan-2-ylbenzene-1,4-diamine
CID 43680104
1-N,1-N,4-N,4-N-tetraethylbenzene-1,4-diamine
CID 14438301
N,N-diethyl-4-[[4-(pyridin-4-yldiazenyl)phenyl]diazenyl]aniline
CID 153313292
N-methyl-1-pyridin-4-ylethanamine;dihydrochloride
CID 42921481
4-cyclopentylsulfanyl-N-(1-pyridin-4-ylethyl)aniline
CID 43726338

Frequently Asked Questions

What is the IUPAC name of 4-N,4-N-diethyl-1-N-(1-pyridin-4-ylethyl)benzene-1,4-diamine?
The IUPAC name of 4-N,4-N-diethyl-1-N-(1-pyridin-4-ylethyl)benzene-1,4-diamine (CID 43680173) is 4-N,4-N-diethyl-1-N-(1-pyridin-4-ylethyl)benzene-1,4-diamine.
What is the SMILES notation for 4-N,4-N-diethyl-1-N-(1-pyridin-4-ylethyl)benzene-1,4-diamine?
The canonical SMILES for 4-N,4-N-diethyl-1-N-(1-pyridin-4-ylethyl)benzene-1,4-diamine is CCN(CC)c1ccc(NC(C)c2ccncc2)cc1.
What is the InChIKey of 4-N,4-N-diethyl-1-N-(1-pyridin-4-ylethyl)benzene-1,4-diamine?
The InChIKey is VSTFTWDKQLLYDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3/c1-4-20(5-2)17-8-6-16(7-9-17)19-14(3)15-10-12-18-13-11-15/h6-14,19H,4-5H2,1-3H3.
What are the key properties of 4-N,4-N-diethyl-1-N-(1-pyridin-4-ylethyl)benzene-1,4-diamine?
4-N,4-N-diethyl-1-N-(1-pyridin-4-ylethyl)benzene-1,4-diamine has a molecular weight of 269.39 g/mol, XLogP of 4.10, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,4-N-diethyl-1-N-(1-pyridin-4-ylethyl)benzene-1,4-diamine is sourced from PubChem (CID 43680173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).