4-N-ethyl-4-N-propan-2-ylbenzene-1,4-diamine

C11H18N2 — CID 688603

IUPAC4-N-ethyl-4-N-propan-2-ylbenzene-1,4-diamine
SMILESCCN(c1ccc(N)cc1)C(C)C
InChIInChI=1S/C11H18N2/c1-4-13(9(2)3)11-7-5-10(12)6-8-11/h5-9H,4,12H2,1-3H3
InChIKeyHKGOSYWNUBEMMH-UHFFFAOYSA-N
MW178.28 g/mol
LogP2.50
Rot. Bonds3

About 4-N-ethyl-4-N-propan-2-ylbenzene-1,4-diamine

4-N-ethyl-4-N-propan-2-ylbenzene-1,4-diamine (PubChem CID 688603) has the molecular formula C11H18N2 and a molecular weight of 178.28 g/mol. Its IUPAC name is 4-N-ethyl-4-N-propan-2-ylbenzene-1,4-diamine.

Molecular Properties

Compound Name4-N-ethyl-4-N-propan-2-ylbenzene-1,4-diamine
PubChem CID688603
Molecular FormulaC11H18N2
Molecular Weight178.28 g/mol
Exact Mass178.15
IUPAC Name4-N-ethyl-4-N-propan-2-ylbenzene-1,4-diamine
SMILESCCN(c1ccc(N)cc1)C(C)C
InChIInChI=1S/C11H18N2/c1-4-13(9(2)3)11-7-5-10(12)6-8-11/h5-9H,4,12H2,1-3H3
InChIKeyHKGOSYWNUBEMMH-UHFFFAOYSA-N
XLogP2.50
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.28
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-N-ethyl-4-N-propan-2-ylbenzene-1,4-diamine?
The IUPAC name of 4-N-ethyl-4-N-propan-2-ylbenzene-1,4-diamine (CID 688603) is 4-N-ethyl-4-N-propan-2-ylbenzene-1,4-diamine.
What is the SMILES notation for 4-N-ethyl-4-N-propan-2-ylbenzene-1,4-diamine?
The canonical SMILES for 4-N-ethyl-4-N-propan-2-ylbenzene-1,4-diamine is CCN(c1ccc(N)cc1)C(C)C.
What is the InChIKey of 4-N-ethyl-4-N-propan-2-ylbenzene-1,4-diamine?
The InChIKey is HKGOSYWNUBEMMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2/c1-4-13(9(2)3)11-7-5-10(12)6-8-11/h5-9H,4,12H2,1-3H3.
What are the key properties of 4-N-ethyl-4-N-propan-2-ylbenzene-1,4-diamine?
4-N-ethyl-4-N-propan-2-ylbenzene-1,4-diamine has a molecular weight of 178.28 g/mol, XLogP of 2.50, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-ethyl-4-N-propan-2-ylbenzene-1,4-diamine is sourced from PubChem (CID 688603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).