4-(2-methylheptan-2-yl)-N-[4-(2-methylheptan-2-yl)phenyl]aniline

C28H43N — CID 15919999

IUPAC4-(2-methylheptan-2-yl)-N-[4-(2-methylheptan-2-yl)phenyl]aniline
SMILESCCCCCC(C)(C)c1ccc(Nc2ccc(C(C)(C)CCCCC)cc2)cc1
InChIInChI=1S/C28H43N/c1-7-9-11-21-27(3,4)23-13-17-25(18-14-23)29-26-19-15-24(16-20-26)28(5,6)22-12-10-8-2/h13-20,29H,7-12,21-22H2,1-6H3
InChIKeyVEEKBTPEMQFVCU-UHFFFAOYSA-N
MW393.66 g/mol
LogP9.15
Rot. Bonds12

About 4-(2-methylheptan-2-yl)-N-[4-(2-methylheptan-2-yl)phenyl]aniline

4-(2-methylheptan-2-yl)-N-[4-(2-methylheptan-2-yl)phenyl]aniline (PubChem CID 15919999) has the molecular formula C28H43N and a molecular weight of 393.66 g/mol. Its IUPAC name is 4-(2-methylheptan-2-yl)-N-[4-(2-methylheptan-2-yl)phenyl]aniline.

Molecular Properties

Compound Name4-(2-methylheptan-2-yl)-N-[4-(2-methylheptan-2-yl)phenyl]aniline
PubChem CID15919999
Molecular FormulaC28H43N
Molecular Weight393.66 g/mol
Exact Mass393.34
IUPAC Name4-(2-methylheptan-2-yl)-N-[4-(2-methylheptan-2-yl)phenyl]aniline
SMILESCCCCCC(C)(C)c1ccc(Nc2ccc(C(C)(C)CCCCC)cc2)cc1
InChIInChI=1S/C28H43N/c1-7-9-11-21-27(3,4)23-13-17-25(18-14-23)29-26-19-15-24(16-20-26)28(5,6)22-12-10-8-2/h13-20,29H,7-12,21-22H2,1-6H3
InChIKeyVEEKBTPEMQFVCU-UHFFFAOYSA-N
XLogP9.15
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.66
LogP ≤ 59.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 4-(2-methylheptan-2-yl)-N-[4-(2-methylheptan-2-yl)phenyl]aniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(2-methylheptan-2-yl)-N-[4-(2-methylheptan-2-yl)phenyl]aniline?
The IUPAC name of 4-(2-methylheptan-2-yl)-N-[4-(2-methylheptan-2-yl)phenyl]aniline (CID 15919999) is 4-(2-methylheptan-2-yl)-N-[4-(2-methylheptan-2-yl)phenyl]aniline.
What is the SMILES notation for 4-(2-methylheptan-2-yl)-N-[4-(2-methylheptan-2-yl)phenyl]aniline?
The canonical SMILES for 4-(2-methylheptan-2-yl)-N-[4-(2-methylheptan-2-yl)phenyl]aniline is CCCCCC(C)(C)c1ccc(Nc2ccc(C(C)(C)CCCCC)cc2)cc1.
What is the InChIKey of 4-(2-methylheptan-2-yl)-N-[4-(2-methylheptan-2-yl)phenyl]aniline?
The InChIKey is VEEKBTPEMQFVCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H43N/c1-7-9-11-21-27(3,4)23-13-17-25(18-14-23)29-26-19-15-24(16-20-26)28(5,6)22-12-10-8-2/h13-20,29H,7-12,21-22H2,1-6H3.
What are the key properties of 4-(2-methylheptan-2-yl)-N-[4-(2-methylheptan-2-yl)phenyl]aniline?
4-(2-methylheptan-2-yl)-N-[4-(2-methylheptan-2-yl)phenyl]aniline has a molecular weight of 393.66 g/mol, XLogP of 9.15, 12 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylheptan-2-yl)-N-[4-(2-methylheptan-2-yl)phenyl]aniline is sourced from PubChem (CID 15919999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).