1-N,4-N,4-N-triethyl-1-N-phenylbenzene-1,2,4-triamine

C18H25N3 — CID 28809952

IUPAC1-N,4-N,4-N-triethyl-1-N-phenylbenzene-1,2,4-triamine
SMILESCCN(CC)c1ccc(N(CC)c2ccccc2)c(N)c1
InChIInChI=1S/C18H25N3/c1-4-20(5-2)16-12-13-18(17(19)14-16)21(6-3)15-10-8-7-9-11-15/h7-14H,4-6,19H2,1-3H3
InChIKeyCJTPKKMNXXSLBS-UHFFFAOYSA-N
MW283.42 g/mol
LogP4.27
Rot. Bonds6

About 1-N,4-N,4-N-triethyl-1-N-phenylbenzene-1,2,4-triamine

1-N,4-N,4-N-triethyl-1-N-phenylbenzene-1,2,4-triamine (PubChem CID 28809952) has the molecular formula C18H25N3 and a molecular weight of 283.42 g/mol. Its IUPAC name is 1-N,4-N,4-N-triethyl-1-N-phenylbenzene-1,2,4-triamine.

Molecular Properties

Compound Name1-N,4-N,4-N-triethyl-1-N-phenylbenzene-1,2,4-triamine
PubChem CID28809952
Molecular FormulaC18H25N3
Molecular Weight283.42 g/mol
Exact Mass283.20
IUPAC Name1-N,4-N,4-N-triethyl-1-N-phenylbenzene-1,2,4-triamine
SMILESCCN(CC)c1ccc(N(CC)c2ccccc2)c(N)c1
InChIInChI=1S/C18H25N3/c1-4-20(5-2)16-12-13-18(17(19)14-16)21(6-3)15-10-8-7-9-11-15/h7-14H,4-6,19H2,1-3H3
InChIKeyCJTPKKMNXXSLBS-UHFFFAOYSA-N
XLogP4.27
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-N,4-N,4-N-triethyl-1-N-phenylbenzene-1,2,4-triamine?
The IUPAC name of 1-N,4-N,4-N-triethyl-1-N-phenylbenzene-1,2,4-triamine (CID 28809952) is 1-N,4-N,4-N-triethyl-1-N-phenylbenzene-1,2,4-triamine.
What is the SMILES notation for 1-N,4-N,4-N-triethyl-1-N-phenylbenzene-1,2,4-triamine?
The canonical SMILES for 1-N,4-N,4-N-triethyl-1-N-phenylbenzene-1,2,4-triamine is CCN(CC)c1ccc(N(CC)c2ccccc2)c(N)c1.
What is the InChIKey of 1-N,4-N,4-N-triethyl-1-N-phenylbenzene-1,2,4-triamine?
The InChIKey is CJTPKKMNXXSLBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3/c1-4-20(5-2)16-12-13-18(17(19)14-16)21(6-3)15-10-8-7-9-11-15/h7-14H,4-6,19H2,1-3H3.
What are the key properties of 1-N,4-N,4-N-triethyl-1-N-phenylbenzene-1,2,4-triamine?
1-N,4-N,4-N-triethyl-1-N-phenylbenzene-1,2,4-triamine has a molecular weight of 283.42 g/mol, XLogP of 4.27, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,4-N,4-N-triethyl-1-N-phenylbenzene-1,2,4-triamine is sourced from PubChem (CID 28809952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).