2-ethyl-2-N-(4-methoxyphenyl)-4-methylhexane-1,2-diamine

C16H28N2O — CID 65383666

IUPAC2-ethyl-2-N-(4-methoxyphenyl)-4-methylhexane-1,2-diamine
SMILESCCC(C)CC(CC)(CN)Nc1ccc(OC)cc1
InChIInChI=1S/C16H28N2O/c1-5-13(3)11-16(6-2,12-17)18-14-7-9-15(19-4)10-8-14/h7-10,13,18H,5-6,11-12,17H2,1-4H3
InChIKeyRQWNSRIDZAYFDD-UHFFFAOYSA-N
MW264.41 g/mol
LogP3.65
Rot. Bonds8

About 2-ethyl-2-N-(4-methoxyphenyl)-4-methylhexane-1,2-diamine

2-ethyl-2-N-(4-methoxyphenyl)-4-methylhexane-1,2-diamine (PubChem CID 65383666) has the molecular formula C16H28N2O and a molecular weight of 264.41 g/mol. Its IUPAC name is 2-ethyl-2-N-(4-methoxyphenyl)-4-methylhexane-1,2-diamine.

Molecular Properties

Compound Name2-ethyl-2-N-(4-methoxyphenyl)-4-methylhexane-1,2-diamine
PubChem CID65383666
Molecular FormulaC16H28N2O
Molecular Weight264.41 g/mol
Exact Mass264.22
IUPAC Name2-ethyl-2-N-(4-methoxyphenyl)-4-methylhexane-1,2-diamine
SMILESCCC(C)CC(CC)(CN)Nc1ccc(OC)cc1
InChIInChI=1S/C16H28N2O/c1-5-13(3)11-16(6-2,12-17)18-14-7-9-15(19-4)10-8-14/h7-10,13,18H,5-6,11-12,17H2,1-4H3
InChIKeyRQWNSRIDZAYFDD-UHFFFAOYSA-N
XLogP3.65
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.41
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-N-(4-methoxyphenyl)-4-methylhexane-1,2-diamine?
The IUPAC name of 2-ethyl-2-N-(4-methoxyphenyl)-4-methylhexane-1,2-diamine (CID 65383666) is 2-ethyl-2-N-(4-methoxyphenyl)-4-methylhexane-1,2-diamine.
What is the SMILES notation for 2-ethyl-2-N-(4-methoxyphenyl)-4-methylhexane-1,2-diamine?
The canonical SMILES for 2-ethyl-2-N-(4-methoxyphenyl)-4-methylhexane-1,2-diamine is CCC(C)CC(CC)(CN)Nc1ccc(OC)cc1.
What is the InChIKey of 2-ethyl-2-N-(4-methoxyphenyl)-4-methylhexane-1,2-diamine?
The InChIKey is RQWNSRIDZAYFDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O/c1-5-13(3)11-16(6-2,12-17)18-14-7-9-15(19-4)10-8-14/h7-10,13,18H,5-6,11-12,17H2,1-4H3.
What are the key properties of 2-ethyl-2-N-(4-methoxyphenyl)-4-methylhexane-1,2-diamine?
2-ethyl-2-N-(4-methoxyphenyl)-4-methylhexane-1,2-diamine has a molecular weight of 264.41 g/mol, XLogP of 3.65, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-N-(4-methoxyphenyl)-4-methylhexane-1,2-diamine is sourced from PubChem (CID 65383666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).