2-ethyl-4-methyl-2-N-phenylhexane-1,2-diamine

C15H26N2 — CID 65381513

IUPAC2-ethyl-4-methyl-2-N-phenylhexane-1,2-diamine
SMILESCCC(C)CC(CC)(CN)Nc1ccccc1
InChIInChI=1S/C15H26N2/c1-4-13(3)11-15(5-2,12-16)17-14-9-7-6-8-10-14/h6-10,13,17H,4-5,11-12,16H2,1-3H3
InChIKeyOZWXYLMGPIGQRX-UHFFFAOYSA-N
MW234.39 g/mol
LogP3.64
Rot. Bonds7

About 2-ethyl-4-methyl-2-N-phenylhexane-1,2-diamine

2-ethyl-4-methyl-2-N-phenylhexane-1,2-diamine (PubChem CID 65381513) has the molecular formula C15H26N2 and a molecular weight of 234.39 g/mol. Its IUPAC name is 2-ethyl-4-methyl-2-N-phenylhexane-1,2-diamine.

Molecular Properties

Compound Name2-ethyl-4-methyl-2-N-phenylhexane-1,2-diamine
PubChem CID65381513
Molecular FormulaC15H26N2
Molecular Weight234.39 g/mol
Exact Mass234.21
IUPAC Name2-ethyl-4-methyl-2-N-phenylhexane-1,2-diamine
SMILESCCC(C)CC(CC)(CN)Nc1ccccc1
InChIInChI=1S/C15H26N2/c1-4-13(3)11-15(5-2,12-16)17-14-9-7-6-8-10-14/h6-10,13,17H,4-5,11-12,16H2,1-3H3
InChIKeyOZWXYLMGPIGQRX-UHFFFAOYSA-N
XLogP3.64
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.39
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-methyl-2-N-phenylhexane-1,2-diamine?
The IUPAC name of 2-ethyl-4-methyl-2-N-phenylhexane-1,2-diamine (CID 65381513) is 2-ethyl-4-methyl-2-N-phenylhexane-1,2-diamine.
What is the SMILES notation for 2-ethyl-4-methyl-2-N-phenylhexane-1,2-diamine?
The canonical SMILES for 2-ethyl-4-methyl-2-N-phenylhexane-1,2-diamine is CCC(C)CC(CC)(CN)Nc1ccccc1.
What is the InChIKey of 2-ethyl-4-methyl-2-N-phenylhexane-1,2-diamine?
The InChIKey is OZWXYLMGPIGQRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2/c1-4-13(3)11-15(5-2,12-16)17-14-9-7-6-8-10-14/h6-10,13,17H,4-5,11-12,16H2,1-3H3.
What are the key properties of 2-ethyl-4-methyl-2-N-phenylhexane-1,2-diamine?
2-ethyl-4-methyl-2-N-phenylhexane-1,2-diamine has a molecular weight of 234.39 g/mol, XLogP of 3.64, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-methyl-2-N-phenylhexane-1,2-diamine is sourced from PubChem (CID 65381513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).